SCHEMBL137246

SCHEMBL137246

COCCNCc1cc(C)ccc1-c1cc(CC(=O)OC)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.49
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
CETP P11597 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
HTR2A P28223 1/20 0.38

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
SCHEMBL135788 0.90 PTGDR2 (0.50) PTGDR2ABL1RIN1PDCD1CD274
SCHEMBL134609 0.88 PTGDR2 (0.47) PTGDR2ABL1RIN1JAK2JAK3
SCHEMBL135789 0.88 PTGDR2 (0.48) PTGDR2ABL1RIN1PDCD1CD274
SCHEMBL134667 0.87 PTGDR2 (0.66) PTGDR2JAK2JAK3ALDH1A1POLB
SCHEMBL156604 0.86 PTGDR2 (0.68) PTGDR2CETPTBXA2RPTGDR
SCHEMBL136777 0.85 HTR7 (0.47) PTGDR2ABL1RIN1JAK2JAK3
SCHEMBL134660 0.85 PTGDR2 (0.54) PTGDR2ABL1RIN1JAK2JAK3
SCHEMBL136913 0.85 PTGDR2 (0.45) PTGDR2ABL1RIN1JAK2JAK3
SCHEMBL136785 0.85 PTGDR2 (0.47) PTGDR2ABL1RIN1JAK2JAK3
SCHEMBL135769 0.84 PTGDR2 (0.51) PTGDR2ABL1RIN1JAK2JAK3

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.