SCHEMBL136938

SCHEMBL136938

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN(C(C)=O)[C@@H]2c3ccccc3C[C@@H]2O)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.40
TBXA2R P21731 1/20 0.37
PTGDR Q13258 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CETP P11597 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL136939 0.93 PTGDR2 (0.47) PTGDR2TBXA2RPTGDR
SCHEMBL135796 0.91 PTGDR2 (0.39) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL156607 0.89 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCETP
SCHEMBL137271 0.86 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL136799 0.84 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL134639 0.84 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL136802 0.84 PTGDR2 (0.46) PTGDR2TBXA2RPTGDR
SCHEMBL12931999 0.82 CD274 (0.45) PTGDR2JAK2JAK3ABL1RIN1
SCHEMBL134651 0.82 CD274 (0.45) PTGDR2JAK2JAK3ABL1RIN1
SCHEMBL156025 0.82 PTGDR2 (0.62) PTGDR2TBXA2RPTGDR

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 2/4885TBXA2R 12/4885PTGDR 1/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 12/4885PTGDR 1/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 12/4885PTGDR 1/4885

“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.