SCHEMBL137643

SCHEMBL137643

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.40
TACR1 P25103 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
PDK2 Q15119 1/20 0.36
LMNA P02545 1/20 0.35
RXRA P19793 4/20 0.35
RXRB P28702 4/20 0.35
RXRG P48443 4/20 0.35
THRB P10828 1/20 0.34
CTSA P10619 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL154650 0.92 PTGDR2 (0.43) CETPTACR1PTGDR2PDK2LMNA
SCHEMBL135225 0.89 RXRA (0.46) CETPTACR1PTGDR2AKR1C3AKR1C2
SCHEMBL137987 0.86 HSP90AB1 (0.36) PDK2LMNAHSP90AB1
SCHEMBL136530 0.84 HSP90AB1 (0.36) LMNATHRBHSP90AB1
SCHEMBL154973 0.83 PTGDR2 (0.42) CETPPTGDR2PDK2LMNARXRA
SCHEMBL136518 0.83 CETP (0.47) CETPPTGDR2
SCHEMBL150632 0.82 PTGDR2 (0.42) CETPPTGDR2AKR1C3AKR1C2PDK2
SCHEMBL17387617 0.82 PTGDR2 (0.44) CETPPTGDR2AKR1C3AKR1C2LMNA
SCHEMBL137192 0.81 SLC7A5 (0.40) PDK2
SCHEMBL137375 0.81 CETP (0.45) 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 CETP 3676/4885TACR1 194/4885PTGDR2 2/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885TACR1 194/4885PTGDR2 2/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CETP 3676/4885TACR1 194/4885PTGDR2 2/4885

“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.