SCHEMBL3606045

SCHEMBL3606045

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.37
PTGS2 P35354 1/20 0.37
TRPA1 O75762 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ACHE P22303 1/20 0.32
RNASEH1 O60930 1/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
PTPN5 P54829 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
SCHEMBL27639090 0.71 HIF1A (0.38) PTGS1TRPA1CACNA1CCYP2D6CYP2C9
SCHEMBL3605778 0.68 PTGS1 (0.41) PTGS1PTGS2TRPA1CACNA1CHIF1A
SCHEMBL9887007 0.66 CYP2D6 (0.47) CYP2D6CYP2C9HIF1ALMNAESR1
SCHEMBL9567885 0.66 CYP2C9 (0.47) CYP2D6CYP2C9HIF1ALMNAPTPN5
SCHEMBL392594 0.66 CYP2C9 (0.40) PTGS1PTGS2TRPA1CYP2D6CYP2C9
SCHEMBL15801258 0.65 CYP2D6 (0.50) CYP2D6CYP2C9HIF1ALMNAPTPN5
SCHEMBL15801254 0.65 CYP2D6 (0.50) CYP2D6CYP2C9HIF1ALMNAPTPN5
SCHEMBL22854082 0.65 CYP2D6 (0.50) CYP2D6CYP2C9HIF1ALMNAPTPN5
SCHEMBL28304318 0.64 CYP2D6 (0.44) CYP2D6CYP2C9HIF1ALMNAPTPN5
SCHEMBL8714984 0.63 CYP2C9 (0.36) PTGS1PTGS2TRPA1CACNA1CCYP2D6

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.