SCHEMBL3600620

SCHEMBL3600620

Cc1ccc(C(CO)c2ccc(C(C)C)cc2)c(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 2/20 0.42
TRPA1 O75762 1/20 0.42
CACNA1C Q13936 1/20 0.42
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.35
TYR P14679 2/20 0.34
USP5 P45974 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL3600389 0.78 PTGS1 (0.43) PTGS1TRPA1CACNA1CPTGS2LMNA
SCHEMBL3605778 0.78 PTGS1 (0.41) GAAPTGS1TRPA1CACNA1CPTGS2
SCHEMBL366229 0.76 GABRA1 (0.52) GAAHPGDTSHRPTGS1TRPA1
SCHEMBL9556357 0.74 GABRA1 (0.50) GAAHPGDTSHRPTGS1TRPA1
SCHEMBL27902064 0.72 GABRA1 (0.53) HPGDTSHRPTGS1TRPA1CACNA1C
SCHEMBL23202772 0.72 TSHR (0.44) GAAHPGDTSHRPTGS1TRPA1
SCHEMBL30241234 0.72 HPGD (0.38) GAAHPGDTSHRPTGS1TRPA1
SCHEMBL27902063 0.72 ESR1 (0.50) TSHRPTGS1LMNATYRUSP5
SCHEMBL758199 0.72 HPGD (0.38) GAAHPGDTSHRPTGS1TRPA1
Phenol SCHEMBL28012629 0.70 GABRA1 (0.47) GAAHPGDTSHRPTGS1TRPA1

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 GAA 4694/4885HPGD 1416/4885TSHR 511/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GAA 4694/4885HPGD 1416/4885TSHR 511/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GAA 4694/4885HPGD 1416/4885TSHR 511/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 GAA 4694/4885HPGD 1416/4885TSHR 511/4885

“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.