SCHEMBL135800

SCHEMBL135800

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
HIF1A Q16665 3/20 0.45
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGDR Q13258 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL134660 0.87 PTGDR2 (0.54) PTGDR2JAK2JAK3RECQLTBXA2R
SCHEMBL12932021 0.87 GAA (0.46) PTGDR2JAK2JAK3MAPTRECQL
SCHEMBL149844 0.86 PTGDR2 (0.65) PTGDR2TBXA2RPTGDR
SCHEMBL136777 0.85 HTR7 (0.47) PTGDR2JAK2JAK3RECQLTBXA2R
SCHEMBL134667 0.85 PTGDR2 (0.66) PTGDR2JAK2JAK3TBXA2RPTGDR
SCHEMBL134609 0.84 PTGDR2 (0.47) PTGDR2JAK2JAK3RECQLTBXA2R
SCHEMBL137406 0.83 ABL1 (0.48) PTGDR2JAK2JAK3RECQLTBXA2R
SCHEMBL137171 0.83 PTGDR2 (0.67) PTGDR2JAK2JAK3TBXA2RPTGDR
SCHEMBL137518 0.82 ABL1 (0.50) PTGDR2JAK2JAK3RECQLTBXA2R
SCHEMBL136997 0.82 ABL1 (0.47) PTGDR2JAK2JAK3RECQLTBXA2R

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 2/4885JAK2 2034/4885JAK3 3741/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885JAK2 2034/4885JAK3 3741/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885JAK2 2034/4885JAK3 3741/4885

“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.