SCHEMBL418136

SCHEMBL418136

CC(C)(C)CCn1ccc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.68
CCND1 P24385 4/20 0.68
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
LMNA P02545 1/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.47
HTR6 P50406 4/20 0.45
ALDH1A1 P00352 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2946887 0.86 CDK4 (0.63) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL2035199 0.86 CDK4 (0.63) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL11366447 0.82 CDK4 (1.00) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30119767 0.81 CDK4 (0.68) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL418336 0.81 CDK4 (0.61) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29372496 0.79 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL3595410 0.79 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
Iodide SCHEMBL2581030 0.77 CDK4 (0.73) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL29374771 0.76 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL464099 0.76 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-10266565-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2019-04-23 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 US disclosed
US-8541618-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2013-09-24 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. 2012-06-07 US disclosed
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2012-03-15 US disclosed
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-06-23 US disclosed
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION LOWE DEREK B 2011-03-17 US disclosed
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation LOWE DEREK B 2009-02-19 US disclosed
US-7456205-B2 Benzopyran compounds, process for preparing the same and their use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-11-25 US disclosed
US-7358386-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110152331-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP CDK4 3812/4885CCND1 3444/4885HTR2A 1878/4885
US-20110152330-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP CDK4 3812/4885CCND1 3444/4885HTR2A 1878/4885
US-20120065146-A1 PEPTIDE MIMETIC LIGANDS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE PLK1, PLK2, PLK4 CDK4 371/4885CCND1 760/4885HTR2A 4228/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 CDK4 1596/4885CCND1 3274/4885HTR2A 4096/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 CDK4 63/4885CCND1 1287/4885HTR2A 4536/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CDK4 454/4885CCND1 2575/4885HTR2A 4857/4885
US-20180153859-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE CHRNA2, ACACA, CHAT CDK4 4722/4885CCND1 4697/4885HTR2A 141/4885
US-10266565-B2 Peptide mimetic ligands of polo-like kinase 1 polo box domain and methods of use PLK1, POLK, POLD3 CDK4 2229/4885CCND1 1061/4885HTR2A 4780/4885
US-20180153860-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES CHAT, ACHE, CHRNA2 CDK4 4103/4885CCND1 3508/4885HTR2A 158/4885
US-20110065129-A1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION INSR, ACACA, IAPP CDK4 3812/4885CCND1 3444/4885HTR2A 1878/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CDK4 454/4885CCND1 2575/4885HTR2A 4857/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS CDK4 454/4885CCND1 2575/4885HTR2A 4857/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS CDK4 454/4885CCND1 2575/4885HTR2A 4857/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS CDK4 454/4885CCND1 2575/4885HTR2A 4857/4885
US-20090047687-A1 Indane Acetic Acid Derivatives and Their Use as Pharmaceutical Agents, Intermediates, and Method of Preparation INSR, ACACA, IAPP CDK4 3812/4885CCND1 3444/4885HTR2A 1878/4885
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES APP, MAPT, TNF CDK4 3308/4885CCND1 3923/4885HTR2A 2235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.