SCHEMBL954191

SCHEMBL954191

CC(C)c1cccc(C(C)C)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
LMNA P02545 2/20 0.48
FAAH O00519 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL29952004 0.87 TSHR (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL6216932 0.87 TSHR (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL15614299 0.85 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL320584 0.85 ALDH1A1 (0.61) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL1527132 0.85 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL23522296 0.82 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL4183355 0.82 ERN1 (0.44) CA1CA2CYP1A2CYP3A4KMT2A
SCHEMBL6214960 0.80 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL954358 0.78 TSHR (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL677075 0.77 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 US disclosed
US-11611046-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2023-03-21 US disclosed
WO-2020217229-A1 POLYCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND OR THE COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2020-10-29 WO disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
CN-105593235-B The production method of group with imine moiety, catalyst for olefines polymerizing and olefin polymer 日本聚丙烯株式会社 2018-04-10 CN disclosed
US-9862783-B2 Imine compound, novel catalyst for olefin polymerization, and process for producing olefin polymer JAPAN POLYPROPYLENE CORPORATION (JP) 2018-01-09 US disclosed
US-9862783-B2 Imine compound, novel catalyst for olefin polymerization, and process for producing olefin polymer JAPAN POLYPROPYLENE CORPORATION (JP) 2018-01-09 US disclosed
US-20170077418-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20160237184-A1 IMINE COMPOUND, NOVEL CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER JAPAN POLYPROPYLENE CORPORATION (JP) 2016-08-18 US disclosed
US-20040214970-A1 Imidochromium compounds in catalyst systems for olefin polymerization EQUISTAR CHEMICALS, LP 2004-10-28 US disclosed
US-6784261-B1 OBTAINED BY A PROCESS ENCOMPASSING THE FOLLOWING PROCESS STEPS: CONTACTING A DIOXOCHROMIUM COMPOUND WITH AN N-SULFINYL COMPOUND, CONTACTING THE REACTION PRODUCT THUS OBTAINED WITH CHLORINE, AT LEAST ONE ACTIVATOR COMPOUND BASELL POLYOLEFINE GMBH (DE) 2004-08-31 US disclosed
CN-1145623-C Imidazole derivatives - 2004-04-14 CN disclosed
EP-0797575-B1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2003-10-15 EP disclosed
EP-1200453-B1 IMIDOCHROME COMPOUNDS CONTAINED IN CATALYST SYSTEMS FOR OLEFIN POLYMERISATION BASELL POLYOLEFINE GMBH (DE) 2003-02-19 EP disclosed
US-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 US disclosed
US-5959113-A REACTING A DIKETONE DERIVATIVE WITH AN ALDEHYDE DERIVATIVE; ADMINISTERING TO TREAT ATHEROSCLEROSIS, PSORIASIS, ALOPECIA AND TUMORS HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
CN-1175252-A Imidazole derivatives as protein kinase inhibitors in particular egf-rthyrosine kinase HOFFMANN LA ROCHE (CH) 1998-03-04 CN disclosed
EP-0797575-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1997-10-01 EP disclosed
WO-1996018626-A1 IMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IN PARTICULAR EGF-R TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-20 WO 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 (6 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-20040214970-A1 Imidochromium compounds in catalyst systems for olefin polymerization HCCS, PPOX, INF2 GABRA1 3668/4885GABRG2 4187/4885GABRB3 3397/4885
US-20170077418-A1 ORGANIC ELECTROLUMINESCENT DEVICE EPCAM, L1CAM, LAGE3 GABRA1 2129/4885GABRG2 1792/4885GABRB3 1979/4885
US-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR GABRA1 601/4885GABRG2 1032/4885GABRB3 484/4885
US-20160237184-A1 IMINE COMPOUND, NOVEL CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER ODC1, MACF1, MOGAT2 GABRA1 4009/4885GABRG2 4334/4885GABRB3 4210/4885
US-11611046-B2 Organic electroluminescent device EPCAM, L1CAM, LAGE3 GABRA1 2129/4885GABRG2 1792/4885GABRB3 1979/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR GABRA1 601/4885GABRG2 1032/4885GABRB3 484/4885

“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.