SCHEMBL135235

SCHEMBL135235

CCN(Cc1cc(C)ccc1Br)C(=O)OCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.50
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TBXA2R P21731 2/20 0.41
PTGIR P43119 2/20 0.41
PTGDR Q13258 2/20 0.41
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 2/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DHODH Q02127 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
SCHEMBL137493 0.89 PTGDR2 (0.47) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL12893455 0.88 PTGDR2 (0.49) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL152173 0.85 PTGDR2 (0.65) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL138145 0.81 PTGDR2 (0.44) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL12197430 0.80 TRPM8 (0.47) PTGDR2FFAR4ALDH1A1NPC1
SCHEMBL136012 0.78 PTGDR2 (0.83) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL137157 0.77 PTGDR2 (0.70) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL136539 0.77 PTGDR2 (0.56) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL152578 0.76 PTGDR2 (0.65) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL16501844 0.76 SSTR4 (0.41) FFAR4ALDH1A1TDP1

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 2/4885CYP3A4 882/4885CYP2C9 690/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP2C9 690/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885CYP2C9 690/4885

“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.