SCHEMBL136985

SCHEMBL136985

CCNCc1cc(C)ccc1-c1cc(C(C)C(=O)OCC)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CETP P11597 9/20 0.37
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL12893834 0.95 AKR1C3 (0.39) AKR1C3AKR1C2CETPL3MBTL1GAA
SCHEMBL152276 0.87 CETP (0.52) AKR1C3AKR1C2CETPPTGDR2
SCHEMBL137639 0.81 AKR1C3 (0.40) AKR1C3AKR1C2HIF1A
SCHEMBL135807 0.81 CETP (0.42) CETPPTGDR2
SCHEMBL12920239 0.81 CETP (0.54) AKR1C3AKR1C2CETPPTGDR2
SCHEMBL135903 0.80 PTGDR2 (0.46) CETPL3MBTL1GAARECQLPTGDR2
SCHEMBL134821 0.78 CNR2 (0.45) CETPPTGDR2
SCHEMBL137108 0.78 PTGDR2 (0.56) CETPPTGDR2
SCHEMBL136156 0.77 PTGDR2 (0.51) CETPPTGDR2
SCHEMBL136167 0.77 CETP (0.39) CETPPTGDR2

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 AKR1C3 1005/4885AKR1C2 1034/4885CETP 3676/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 AKR1C3 1005/4885AKR1C2 1034/4885CETP 3676/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 AKR1C3 1005/4885AKR1C2 1034/4885CETP 3676/4885

“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.