SCHEMBL3594816

SCHEMBL3594816

Cc1c(C)c(C(CO)c2ccc(C(C)C)cc2)c(O)c(C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 1/20 0.33
TYR P14679 1/20 0.32
TRPA1 O75762 1/20 0.32
CACNA1C Q13936 1/20 0.32
USP5 P45974 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
FFAR1 O14842 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
SCHEMBL3605778 0.77 PTGS1 (0.41) TBXA2RPTGS1PTGS2TYRTRPA1
SCHEMBL3600389 0.74 PTGS1 (0.43) PTGS1PTGS2TYRTRPA1CACNA1C
SCHEMBL3600620 0.70 GAA (0.44) PTGS1PTGS2TYRTRPA1CACNA1C
SCHEMBL3606926 0.70 HTR2A (0.34) TBXA2R
SCHEMBL27902063 0.69 ESR1 (0.50) TBXA2RPTGS1TYRUSP5RXRA
SCHEMBL3606698 0.68 PTGS1 (0.43) PTGS1PTGS2TYRTRPA1CACNA1C
SCHEMBL3590932 0.65 HPGD (0.51) PTGS1TYRCACNA1C
SCHEMBL3605125 0.64 HPGD (0.38) TBXA2RTRPA1
Hydrogen Peroxide SCHEMBL461155 0.63 TYR (0.55) PTGS1TYRTRPA1CACNA1CUSP5
Hydrogen Peroxide SCHEMBL20915049 0.63 TYR (0.55) PTGS1TYRTRPA1CACNA1CUSP5

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 TBXA2R 18/4885PTGS1 658/4885PTGS2 1023/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TBXA2R 18/4885PTGS1 658/4885PTGS2 1023/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TBXA2R 18/4885PTGS1 658/4885PTGS2 1023/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 TBXA2R 18/4885PTGS1 658/4885PTGS2 1023/4885

“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.