SCHEMBL136044

SCHEMBL136044

COc1ccc(CC(=O)O)cc1-c1ccc(C)cc1CN

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
PTGDR2 Q9Y5Y4 17/20 0.49
TBXA2R P21731 3/20 0.49
PTGDR Q13258 3/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA5A P35218 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PTGIR P43119 1/20 0.45

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
SCHEMBL136997 0.89 ABL1 (0.47) GAAPTGDR2TBXA2RPTGDRALDH1A1
SCHEMBL12197447 0.89 GAA (0.52) GAAPTGDR2TBXA2RPTGDRALDH1A1
SCHEMBL137170 0.87 ABL1 (0.46) GAAPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL153039 0.83 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137500 0.83 PTGDR2 (0.56) GAAPTGDR2TBXA2RPTGDRALDH1A1
SCHEMBL135764 0.83 PTGDR2 (0.55) GAAPTGDR2TBXA2RPTGDRCYP3A4
SCHEMBL136146 0.83 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL12197412 0.82 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL12197401 0.82 CYP3A4 (0.52) GAAPTGDR2TBXA2RPTGDRALDH1A1
SCHEMBL21076208 0.82 GAA (0.72) GAAPTGDR2TBXA2RPTGDRALDH1A1

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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GAA 3904/4885PTGDR2 2/4885TBXA2R 12/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GAA 3904/4885PTGDR2 2/4885TBXA2R 12/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GAA 3904/4885PTGDR2 2/4885TBXA2R 12/4885

“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.