SCHEMBL3605778

SCHEMBL3605778

Cc1cc(C)c(C(CO)c2ccc(C(C)C)cc2)c(O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
TRPA1 O75762 1/20 0.40
CACNA1C Q13936 1/20 0.40
LDHA P00338 5/20 0.33
LDHB P07195 5/20 0.33
LMNA P02545 2/20 0.33
RNASEH1 O60930 1/20 0.33
TYR P14679 1/20 0.33
USP5 P45974 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TBXA2R P21731 1/20 0.32
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL3605125 0.87 HPGD (0.38) TRPA1LMNAALDH1A1GAAHTT
SCHEMBL3606926 0.86 HTR2A (0.34) THRBTBXA2RTEAD4
SCHEMBL3600389 0.85 PTGS1 (0.43) PTGS1PTGS2TRPA1CACNA1CLDHA
SCHEMBL3606698 0.78 PTGS1 (0.43) PTGS1PTGS2TRPA1CACNA1CLDHA
SCHEMBL3600620 0.78 GAA (0.44) PTGS1PTGS2TRPA1CACNA1CLMNA
SCHEMBL3594816 0.77 TBXA2R (0.33) PTGS1PTGS2TRPA1CACNA1CTYR
SCHEMBL8743044 0.73 GAA (0.37) PTGS1PTGS2LMNAALDH1A1GAA
SCHEMBL27902063 0.70 ESR1 (0.50) PTGS1LMNATYRUSP5ALDH1A1
SCHEMBL2202882 0.68 ESR1 (0.39) PTGS1TRPA1CACNA1CLMNAGAA
SCHEMBL3606045 0.68 PTGS1 (0.37) PTGS1PTGS2TRPA1CACNA1CLMNA

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.