SCHEMBL3595161

SCHEMBL3595161

Cc1cc(C)c(Cc2ccc(C(C)C)cc2)c(O)c1Br

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
TRPA1 O75762 1/20 0.39
CACNA1C Q13936 1/20 0.39
THRA P10827 8/20 0.36
THRB P10828 8/20 0.36
IDO1 P14902 2/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC5A1 P13866 3/20 0.34
SLC5A2 P31639 3/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33

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
SCHEMBL3597203 0.75 PTGS1 (0.44) PTGS1PTGS2TRPA1CACNA1CTHRA
SCHEMBL10826065 0.74 PTGS1 (0.44) PTGS1PTGS2TRPA1CACNA1CIDO1
SCHEMBL3604919 0.74 SLC5A2 (0.43) THRATHRBIDO1SLC5A1SLC5A2
SCHEMBL3594565 0.70 BCHE (0.43) THRATHRBNPC1RAB9A
SCHEMBL10826232 0.69 PTGS1 (0.45) PTGS1PTGS2TRPA1CACNA1CIDO1
SCHEMBL10727015 0.69 LDHA (0.46) PTGS1TRPA1CACNA1CTHRATHRB
SCHEMBL27436463 0.68 ESR1 (0.44) PTGS1PTGS2TRPA1CACNA1CTHRA
SCHEMBL10826237 0.68 LDHA (0.47) PTGS1PTGS2TRPA1CACNA1CRAB9A
SCHEMBL3601020 0.68 KDM4E (0.43) IDO1HTR1DHTR1BSLC5A1SLC5A2
SCHEMBL3956146 0.68 IDO1 (0.56) IDO1HTR1DHTR1BNPC1RAB9A

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 PTGS1 658/4885PTGS2 1023/4885TRPA1 126/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885PTGS2 1023/4885TRPA1 126/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885PTGS2 1023/4885TRPA1 126/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885PTGS2 1023/4885TRPA1 126/4885

“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.