SCHEMBL135903

SCHEMBL135903

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.46
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
RECQL P46063 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGDR Q13258 1/20 0.41
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CETP P11597 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 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
SCHEMBL134609 0.93 PTGDR2 (0.47) PTGDR2ABL1RIN1RECQLTBXA2R
SCHEMBL136363 0.91 ABL1 (0.43) PTGDR2ABL1RIN1RECQLEPHX2
SCHEMBL138884 0.90 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRPOLBCETP
SCHEMBL137500 0.89 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRGAA
SCHEMBL137654 0.89 PTGDR2 (0.49) PTGDR2ABL1RIN1TBXA2RPTGDR
SCHEMBL12900613 0.88 NLRP3 (0.41) L3MBTL1
SCHEMBL138850 0.87 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCETP
SCHEMBL12197389 0.86 ABL1 (0.46) PTGDR2ABL1RIN1RECQLTBXA2R
SCHEMBL137287 0.86 ALDH1A1 (0.46) PTGDR2L3MBTL1POLBGAACETP
SCHEMBL137327 0.86 GAA (0.46) PTGDR2POLBGAA

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 2/4885ABL1 3888/4885RIN1 4058/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ABL1 3888/4885RIN1 4058/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885ABL1 3888/4885RIN1 4058/4885

“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.