SCHEMBL3603579

SCHEMBL3603579

Cc1cc2c(c(C)c1C)C(=O)C(C)(C)O2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 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
SCHEMBL3599725 0.84 TSHR (0.32) TSHRHTTALDH1A1
SCHEMBL658198 0.84 PTGS2 (0.31) ALDH1A1
SCHEMBL3597240 0.77 PTGS1 (0.30)
SCHEMBL659859 0.77 TSHR (0.45) TSHRHTTGAAALDH1A1
SCHEMBL659098 0.73 KDM4E (0.31) ALDH1A1
SCHEMBL3600287 0.71 PSMB1 (0.42) TSHRHTTGAAALDH1A1
SCHEMBL3600806 0.64 NQO1 (0.33) TSHRHTTALDH1A1
SCHEMBL8356678 0.63 CYP19A1 (0.50) GAAALDH1A1
SCHEMBL658369 0.63 KDM4E (0.36) ALDH1A1
SCHEMBL2473349 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965147-B Benzofuran derivatives 武田药品工业株式会社 2016-08-24 CN disclosed
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 TSHR 511/4885HTT 4582/4885GAA 4694/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TSHR 511/4885HTT 4582/4885GAA 4694/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TSHR 511/4885HTT 4582/4885GAA 4694/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TSHR 511/4885HTT 4582/4885GAA 4694/4885

“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.