SCHEMBL3606698

SCHEMBL3606698

Cc1cc(C)c(C(CO)c2ccc(C(C)C)cc2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.43
TRPA1 O75762 2/20 0.43
CACNA1C Q13936 1/20 0.43
PTGS2 P35354 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
LMNA P02545 4/20 0.36
TYR P14679 2/20 0.36
CHRM1 P11229 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX12 P18054 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
THRA P10827 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
SCHEMBL3602314 0.80 PTGS1 (0.48) PTGS1TRPA1CACNA1CPTGS2SLC6A2
SCHEMBL3605778 0.78 PTGS1 (0.41) PTGS1TRPA1CACNA1CPTGS2LMNA
SCHEMBL3600389 0.76 PTGS1 (0.43) PTGS1TRPA1CACNA1CPTGS2LMNA
SCHEMBL3060235 0.73 SELL (0.46) PTGS1TRPA1CACNA1CSLC6A2SLC6A4
SCHEMBL5135797 0.72 BCHE (0.47) PTGS1SLC6A2SLC6A4SLC6A3TYR
SCHEMBL28374468 0.71 SLC6A2 (0.47) PTGS1TRPA1CACNA1CSLC6A2SLC6A4
SCHEMBL29827122 0.71 SLC6A2 (0.47) PTGS1TRPA1CACNA1CSLC6A2SLC6A4
SCHEMBL27902063 0.70 ESR1 (0.50) PTGS1SLC6A2SLC6A3LMNATYR
SCHEMBL3597203 0.70 PTGS1 (0.44) PTGS1TRPA1CACNA1CPTGS2SLC6A2
SCHEMBL2203772 0.68 RAPGEF4 (0.40) PTGS1TRPA1CACNA1CSLC6A2SLC6A4

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 658/4885TRPA1 126/4885CACNA1C 501/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885TRPA1 126/4885CACNA1C 501/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885TRPA1 126/4885CACNA1C 501/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 PTGS1 658/4885TRPA1 126/4885CACNA1C 501/4885

“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.