SCHEMBL137340

SCHEMBL137340

CCN(Cc1cc(C)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.44
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
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TSPO P30536 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL136538 0.91 PTGDR2 (0.42) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL138145 0.90 PTGDR2 (0.44) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL1922390 0.88 PTGDR2 (0.48) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL135406 0.86 PTGDR2 (0.57) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL138146 0.82 HPGD (0.45) MEN1KMT2ATRPM8LMNAALDH1A1
SCHEMBL16501845 0.82 USP30 (0.38) TRPM8LMNAHPGDNPSR1
SCHEMBL136933 0.82 ALDH1A1 (0.45) PTGDR2MEN1KMT2AALDH1A1HPGD
SCHEMBL16501882 0.81 HSD17B10 (0.41) MEN1KMT2ATRPM8TSPOLMNA
SCHEMBL12893455 0.80 PTGDR2 (0.49) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL136492 0.80 HPGD (0.35) PTGDR2MEN1KMT2ATRPM8ALDH1A1

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 5 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 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 (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-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
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 566/4885CYP2C9 499/4885

“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.