SCHEMBL3593282

SCHEMBL3593282

Cc1cc2c(c(C)c1Br)C(c1ccccc1)CO2

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.49
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL3599057 0.83 MAPT (0.39) CYP19A1ALDH1A1MAPTALOX15ALOX12
SCHEMBL3596077 0.82 CYP19A1 (0.46) CYP19A1ALOX15ALOX12
SCHEMBL3600089 0.77 CYP19A1 (0.56) CYP19A1ALDH1A1MAPTALOX15ALOX12
SCHEMBL3601353 0.76 CYP19A1 (0.38) CYP19A1
SCHEMBL3604662 0.75 CYP19A1 (0.40) CYP19A1ALDH1A1MAPT
SCHEMBL3604809 0.71 CYP19A1 (0.42) CYP19A1ALDH1A1
SCHEMBL3600799 0.70 KCNQ2 (0.43) CYP19A1MAPT
SCHEMBL3602262 0.70 MAPT (0.38) CYP19A1ALDH1A1MAPTALOX15ALOX12
SCHEMBL3603906 0.69 TAAR1 (0.35) CYP19A1ALDH1A1
SCHEMBL8797337 0.68 ALDH1A1 (0.42) ALDH1A1MAPT

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 CYP19A1 243/4885ALDH1A1 1463/4885MAPT 4392/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885ALDH1A1 1463/4885MAPT 4392/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885ALDH1A1 1463/4885MAPT 4392/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP19A1 243/4885ALDH1A1 1463/4885MAPT 4392/4885

“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.