SCHEMBL137634

SCHEMBL137634

CCNCc1cc(C)ccc1-c1cc(Cl)cc(CC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 1/20 0.36
ABCB11 O95342 1/20 0.35
PTGS1 P23219 1/20 0.35
PPARG P37231 1/20 0.35
NR1I3 Q14994 1/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL136530 0.89 HSP90AB1 (0.36) PTGS2KDM4EALDH1A1MEN1KMT2A
SCHEMBL137672 0.88 MAPT (0.41) PTGS2KDM4EALDH1A1MEN1KMT2A
SCHEMBL138141 0.86 PTGDR2 (0.37) PTGS2PTGDR2KDM4EALDH1A1SRC
SCHEMBL155458 0.84 PTGDR2 (0.47) PTGDR2THRBCYP3A4
SCHEMBL134922 0.83 PTPN11 (0.43) PTGS2FFAR1FFAR4THRATHRB
SCHEMBL135225 0.83 RXRA (0.46) PTGDR2
SCHEMBL16501987 0.81 CYP11B1 (0.42) PTGS2KDM4EALDH1A1MEN1KMT2A
SCHEMBL137576 0.80 PTGDR2 (0.40) PTGS2PTGDR2KDM4EALDH1A1MEN1
SCHEMBL136567 0.79 PTGS2 (0.40) PTGS2PTGDR2KDM4EALDH1A1MEN1
SCHEMBL138142 0.79 PTGDR2 (0.48) PTGS2PTGDR2KDM4EALDH1A1MEN1

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 PTGS2 11/4885PTGDR2 2/4885KDM4E 4789/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGS2 11/4885PTGDR2 2/4885KDM4E 4789/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGS2 11/4885PTGDR2 2/4885KDM4E 4789/4885

“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.