SCHEMBL136529

SCHEMBL136529

CCN(Cc1cc(C)ccc1-c1cc(Cl)cc(CC(=O)O)c1)C(=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.50
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HTT P42858 3/20 0.42
RORC P51449 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
PTGS2 P35354 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL137650 0.94 PTGDR2 (0.46) PTGDR2ALDH1A1KDM4EHSD17B10HTT
SCHEMBL137620 0.92 PTGDR2 (0.46) PTGDR2ALDH1A1KDM4EHSD17B10HTT
SCHEMBL135224 0.89 PTGDR2 (0.52) PTGDR2ALDH1A1KDM4EHSD17B10HTT
SCHEMBL153691 0.87 PTGDR2 (0.67) PTGDR2RORC
SCHEMBL136567 0.87 PTGS2 (0.40) PTGDR2ALDH1A1KDM4EHTTPTGS2
SCHEMBL137614 0.86 PTGDR2 (0.61) PTGDR2ALDH1A1KDM4EHSD17B10HTT
SCHEMBL137995 0.85 MAPT (0.43) PTGDR2ALDH1A1HTTMAPTNPSR1
SCHEMBL138171 0.84 ALDH1A1 (0.43) PTGDR2ALDH1A1KDM4EHSD17B10HTT
SCHEMBL138006 0.84 PPARG (0.42) PTGDR2ALDH1A1GAAMAPTLMNA
SCHEMBL135252 0.84 PTGDR2 (0.54) PTGDR2RORC

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 2/4885ALDH1A1 2005/4885KDM4E 4789/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885KDM4E 4789/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ALDH1A1 2005/4885KDM4E 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.