SCHEMBL9945976

SCHEMBL9945976

CB(C)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CYP2A6 P11509 7/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 5/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX12 P18054 1/20 0.40
UGT2B7 P16662 1/20 0.40
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GSTP1 P09211 1/20 0.37
HPGD P15428 1/20 0.37
RELA Q04206 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL14379320 0.89 CA1 (0.44) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL23095256 0.85 CA1 (0.60) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL14979413 0.81 CA1 (0.68) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL1477665 0.79 CA1 (0.65) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL24012385 0.78 CA1 (0.52) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL13687823 0.78 CYP1A2 (0.62) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL14379325 0.77 ALDH1A1 (0.35) CA1CA2CYP1A2ALDH1A1HSD17B10
SCHEMBL23150 0.75 CA1 (1.00) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL29612616 0.75 CA1 (1.00) CA1CA2CYP2A6TDP1CYP1A2
SCHEMBL5952226 0.75 CA1 (0.54) CA1CA2CYP2A6TDP1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US 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 (3 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CA1 4827/4885CA2 3510/4885CYP2A6 3547/4885
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA1 822/4885CA2 1487/4885CYP2A6 94/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 CA1 822/4885CA2 1487/4885CYP2A6 94/4885

“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.