SCHEMBL10162941

SCHEMBL10162941

CCc1ccc(C(C)(C)C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
HSPA5 P11021 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
IDO1 P14902 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CSNK2A1 P68400 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34

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
SCHEMBL18075374 0.84 TRPA1 (0.41) PDE2AHSPA5TRPA1CYP1A2CYP2A6
SCHEMBL21180454 0.84 PDE2A (0.39) PDE2ATRPA1CYP1A2CYP2A6SIGMAR1
SCHEMBL19398823 0.83 HSPA5 (0.43) PDE2AHSPA5TRPA1CYP1A2CYP2A6
SCHEMBL25530522 0.82 ESR1 (0.42) CYP1A2SIGMAR1CYP3A4MAPK1IDO1
SCHEMBL20865689 0.82 RECQL (0.38) CYP1A2CYP3A4MAPK1IDO1TSHR
SCHEMBL257057 0.82 DAO (0.48) PDE2ATRPA1CYP1A2CYP2A6SIGMAR1
SCHEMBL26581124 0.82 CSNK2A1 (0.47) CYP3A4IDO1CSNK2A1CSNK2A2CSNK2B
SCHEMBL12344072 0.80 CYP2A6 (0.37) PDE2ATRPA1CYP1A2CYP2A6SIGMAR1
SCHEMBL5144225 0.79 ALDH1A1 (0.42) CYP1A2SIGMAR1MAPK1TDP1SMN1; SMN2
SCHEMBL22243486 0.79 PNMT (0.46) SIGMAR1CYP2C9CSNK2A1LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators The Board of Directors of the University of Illinois (US) 2020-07-07 US disclosed
US-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS (US) 2019-08-15 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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 (5 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-20190248780-A1 BENZOTHIOPHENE-BASED SELECTIVE MIXED ESTROGEN RECEPTOR DOWNREGULATORS ESR1, ESR2, GPER1 PDE2A 4607/4885HSPA5 844/4885TRPA1 966/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP PDE2A 724/4885HSPA5 4565/4885TRPA1 1605/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF PDE2A 3354/4885HSPA5 2375/4885TRPA1 4786/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 PDE2A 767/4885HSPA5 4296/4885TRPA1 2412/4885
US-10703747-B2 Benzothiophene-based selective mixed estrogen receptor downregulators ESR1, ESR2, GPER1 PDE2A 4607/4885HSPA5 844/4885TRPA1 966/4885

“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.