SCHEMBL136019

SCHEMBL136019

COc1ccc(CC(=O)O)cc1-c1ccc(C)cc1CNCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.76
TBXA2R P21731 1/20 0.50
PTGDR Q13258 1/20 0.50
KMT2A Q03164 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL134667 0.93 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRKMT2ACYP3A4
SCHEMBL153213 0.86 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137500 0.86 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137314 0.84 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRKMT2ACYP3A4
SCHEMBL137252 0.84 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL134660 0.83 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRKMT2AMEN1
SCHEMBL136041 0.82 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL136051 0.82 PTGDR2 (0.77) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137310 0.81 PTGDR2 (0.77) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL12197447 0.80 GAA (0.52) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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 PTGDR2 2/4885TBXA2R 12/4885PTGDR 1/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 12/4885PTGDR 1/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 12/4885PTGDR 1/4885

“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.