SCHEMBL5962280

SCHEMBL5962280

CC(C)(C)Cc1cc[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
CAPN1 P07384 1/20 0.39
SLC6A2 P23975 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19401215 0.80 CAPN1 (0.36) CAPN1SLC6A2TAAR1
SCHEMBL2754652 0.77 TSHR (0.43) CAPN1KMT2AMEN1ALDH1A1
SCHEMBL1665089 0.76 CAPN1 (0.39) CAPN1KMT2AALDH1A1
SCHEMBL4560927 0.76 CAPN1 (0.44) CAPN1SLC6A2TAAR1KMT2AMEN1
SCHEMBL19651765 0.74
SCHEMBL20233503 0.73 CAPN1 (0.34) CAPN1
SCHEMBL8578612 0.71 CAPN1 (0.36) CAPN1
SCHEMBL6685103 0.70 ESR1 (0.74) ESR1SLC6A2THRATHRBTAAR1
SCHEMBL22651809 0.70 TRPM8 (0.35) CAPN1
SCHEMBL28293382 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-23 US disclosed
US-11530194-B2 Amide compounds and method for making and using RIGEL PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-20220213126-A1 SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES JOHN WAYNE CANCER INSTITUTE (US) 2022-07-07 US disclosed
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2021-08-19 US disclosed
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. (US) 2021-07-15 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-7608723-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide;kinesin spindle protein modulators; anticarcinogenic agents; in vivo stability, bio-availability; diagnosis/medical/;antitumor agents hyperplasia; restinosis; antiinflammatory agents; cardiac hypertrophy NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-10-27 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-20080317744-A1 Indole and Benzimidazole Derivatives CHIRON CORPORATION (US) 2008-12-25 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20070287745-A1 Laulimalide Analogs and Uses Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-13 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 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 (14 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-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 ESR1 4330/4885CAPN1 1537/4885SLC6A2 4772/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 ESR1 4614/4885CAPN1 520/4885SLC6A2 4686/4885
US-20220213126-A1 SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES TFEB, SQSTM1, BECN1 ESR1 3692/4885CAPN1 1210/4885SLC6A2 2028/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 ESR1 4215/4885CAPN1 4740/4885SLC6A2 4297/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 ESR1 2025/4885CAPN1 2045/4885SLC6A2 2690/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 ESR1 2541/4885CAPN1 1115/4885SLC6A2 3605/4885
US-20070287745-A1 Laulimalide Analogs and Uses Thereof LPXN, MLX, ZYX ESR1 4319/4885CAPN1 3658/4885SLC6A2 4543/4885
US-20210253580-A1 ISOQUINOLINE COMPOUNDS AND USES THEREOF HIPK1, HPGDS, IP6K1 ESR1 4498/4885CAPN1 2914/4885SLC6A2 4264/4885
US-11530194-B2 Amide compounds and method for making and using IRAK1, IRAK2, IRAK3 ESR1 971/4885CAPN1 1834/4885SLC6A2 4844/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 ESR1 1673/4885CAPN1 1618/4885SLC6A2 3121/4885
US-20080317744-A1 Indole and Benzimidazole Derivatives IDO1, IDO2, AADAC ESR1 2716/4885CAPN1 3469/4885SLC6A2 187/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 ESR1 767/4885CAPN1 454/4885SLC6A2 4640/4885
US-20210214342-A1 AMIDE COMPOUNDS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ESR1 971/4885CAPN1 1834/4885SLC6A2 4844/4885
US-20230053699-A1 SUBSTITUTED-ISOXAZOLINE-CONTAINING AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF CYP4X1, CYP4F11, CBR3 ESR1 3990/4885CAPN1 3797/4885SLC6A2 2156/4885

“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.