SCHEMBL659617

SCHEMBL659617

Cc1cc(C)cc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
PPARG P37231 8/20 0.50
FABP2 P12104 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL12329622 0.87 PPARA (0.46) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL14143972 0.84 PPARA (0.49) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL3598533 0.82 PPARA (0.52) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL9911068 0.81 PPARG (0.55) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL1045831 0.79 PPARA (0.69) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL11649361 0.79 TPMT (0.38) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL15262962 0.79 PPARA (0.49) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL14988854 0.78 PPARA (0.55) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL3526757 0.78 PPARA (0.67) PPARAMEN1KMT2ACYP2C19CYP3A4
SCHEMBL15445136 0.78 PPARA (0.52) PPARAMEN1KMT2ACYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146176-B GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-11-15 CN disclosed
CN-118146176-A GPR133/ADGRD1 agonist, preparation method and application thereof 山东大学 2024-06-07 CN disclosed
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
CN-103965147-A Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-08-06 CN disclosed
CN-102421767-B Benzofuran derivatives TAKEDA PHARMACEUTICAL 2014-06-18 CN disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP 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 (3 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-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PPARA 490/4885MEN1 3532/4885KMT2A 1061/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PPARA 490/4885MEN1 3532/4885KMT2A 1061/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PPARA 490/4885MEN1 3532/4885KMT2A 1061/4885

“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.