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SCHEMBL137952

SCHEMBL137952

CCN(Cc1cc(C)ccc1-c1cc(Cl)cc(CC(=O)OC)c1)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ HSP90AB1 P08238 1/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CETP P11597 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ PTGDR Q13258 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PTGIR P43119 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL138021 0.92 MAPT (0.35) PTGDR2CHRM1HTTMEN1KMT2A
SCHEMBL138005 0.90 PTGDR2 (0.34) PTGDR2HSP90AB1PTGS2CETPMAPK1
SCHEMBL137576 0.88 PTGDR2 (0.40) PTGDR2CHRM1PTGS2MAPK1HTT
SCHEMBL138147 0.87 HDAC1 (0.40) MAPK1HTTMEN1KMT2AMAPT
SCHEMBL138099 0.87 PTGDR2 (0.43) PTGDR2HTTPTGDRCYP3A4KDM4E
SCHEMBL135232 0.86 PTGDR2 (0.47) PTGDR2MAPK1HTTMEN1KMT2A
SCHEMBL152271 0.86 PTGDR2 (0.49) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL137995 0.86 MAPT (0.43) PTGDR2MAPK1HTTMEN1KMT2A
SCHEMBL136518 0.85 CETP (0.47) PTGDR2CETPTBXA2RPTGDRCYP3A4
SCHEMBL137487 0.85 PTGDR2 (0.47) 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 2/4885HSP90AB1 2237/4885CHRM1 1532/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885HSP90AB1 2237/4885CHRM1 1532/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885HSP90AB1 2237/4885CHRM1 1532/4885

“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.