SCHEMBL3601655

SCHEMBL3601655

Cc1cc(C)c(Cc2ccc(C(C)C)cc2)c(OCC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.51
THRA P10827 7/20 0.51
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
ADRB3 P13945 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3598090 0.90 BCHE (0.45) THRBTHRABCHEACHEKDM4E
SCHEMBL3600323 0.88 BCHE (0.43) THRBTHRABCHEACHE
SCHEMBL27639120 0.87 ADRB3 (0.46) THRBTHRABCHEACHETDP1
SCHEMBL3590188 0.86 BCHE (0.42) THRBTHRABCHEACHE
SCHEMBL27902001 0.85 KEAP1 (0.39) THRBTHRABCHEACHEKDM4E
SCHEMBL3600343 0.82 BCHE (0.43) BCHEACHETSHR
SCHEMBL27639101 0.82 CFD (0.40) THRBTHRABCHEACHEKDM4E
SCHEMBL27639073 0.81 BCHE (0.38) THRBTHRABCHEACHEHPGD
SCHEMBL3593921 0.81 PPARA (0.45) THRBTHRA
SCHEMBL27639102 0.80 BCHE (0.37) THRBTHRABCHEACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US 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

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

For each of this compound's patents that has machine-readable text (4 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 THRB 779/4885THRA 1231/4885BCHE 2613/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885THRA 1231/4885BCHE 2613/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885THRA 1231/4885BCHE 2613/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 THRB 779/4885THRA 1231/4885BCHE 2613/4885

“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.