SCHEMBL137398

SCHEMBL137398

COc1ccc(CC(=O)O)cc1-c1ccc(C)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
SRC P12931 1/20 0.51
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA5A P35218 1/20 0.46
PTGDR2 Q9Y5Y4 14/20 0.45
TBXA2R P21731 2/20 0.44
PTGDR Q13258 2/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43

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
SCHEMBL134607 0.89 ABL1 (0.47) GAASRCALDH1A1PTGDR2ABL1
SCHEMBL136891 0.87 ABL1 (0.46) GAASRCALDH1A1PTGDR2ABL1
SCHEMBL156552 0.83 PTGDR2 (0.62) PTGDR2TBXA2RPTGDR
SCHEMBL21076208 0.82 GAA (0.72) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL12197447 0.81 GAA (0.52) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL136044 0.80 GAA (0.51) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL137697 0.80 HTR7 (0.40) ALDH1A1
SCHEMBL1798363 0.80 GAA (0.64) GAASRCALDH1A1TSHRNFKB1
SCHEMBL137500 0.79 PTGDR2 (0.56) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL137412 0.77 ABL1 (0.46) GAAALDH1A1PTGDR2ABL1RIN1

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 3904/4885SRC 4380/4885ALDH1A1 2005/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GAA 3904/4885SRC 4380/4885ALDH1A1 2005/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 GAA 3904/4885SRC 4380/4885ALDH1A1 2005/4885

“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.