SCHEMBL135225

SCHEMBL135225

CCNCc1cc(C)ccc1-c1cc(CC(=O)O)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.46
RXRG P48443 8/20 0.46
RXRB P28702 7/20 0.46
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
TACR1 P25103 5/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
CETP P11597 2/20 0.38
TBXA2R P21731 1/20 0.37
PTGDR Q13258 1/20 0.37
GPBAR1 Q8TDU6 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
SCHEMBL156575 0.91 PTGDR2 (0.49) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL137643 0.89 CETP (0.40) RXRARXRGRXRBPTGDR2TACR1
SCHEMBL138141 0.85 PTGDR2 (0.37) RXRARXRGRXRBPTGDR2AKR1C3
SCHEMBL137634 0.83 PTGS2 (0.44) PTGDR2
SCHEMBL152827 0.83 PTGDR2 (0.48) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL155458 0.82 PTGDR2 (0.47) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL137601 0.81 GPBAR1 (0.46) RXRARXRGRXRBPTGDR2CETP
SCHEMBL135943 0.81 AKR1C3 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL137059 0.81 AKR1C3 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL134922 0.81 PTPN11 (0.43)

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 RXRA 767/4885RXRG 403/4885RXRB 492/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 RXRA 767/4885RXRG 403/4885RXRB 492/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 RXRA 767/4885RXRG 403/4885RXRB 492/4885

“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.