SCHEMBL137327

SCHEMBL137327

CCNCc1cc(C)ccc1-c1cc(CC(=O)OCC)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
PTGER1 P34995 5/20 0.43
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.43
BRD4 O60885 4/20 0.43
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL139096 0.88 PTGDR2 (0.58) PTGER1PTGDR2
SCHEMBL135903 0.86 PTGDR2 (0.46) GAAPTGDR2POLB
SCHEMBL137851 0.83 PTGER1 (0.43) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL134966 0.83 PTGDR2 (0.56) PTGER1PTGER4PTGER3PTGER2PTGDR2
SCHEMBL12900613 0.82 NLRP3 (0.41) MAPT
SCHEMBL137323 0.82 PTGDR2 (0.61) PTGDR2
SCHEMBL137139 0.79 PPID (0.40) MAPT
SCHEMBL134609 0.79 PTGDR2 (0.47) GAAPTGDR2
SCHEMBL153690 0.79 PTGDR2 (0.57) PTGER1PTGDR2
SCHEMBL137172 0.79 PTGDR2 (0.51) PTGDR2POLBMAPT

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 GAA 3904/4885PTGER1 5/4885PTGER4 9/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GAA 3904/4885PTGER1 5/4885PTGER4 9/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GAA 3904/4885PTGER1 5/4885PTGER4 9/4885

“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.