SCHEMBL136927

SCHEMBL136927

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
PTGDR2 Q9Y5Y4 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
EPHX2 P34913 1/20 0.39
TBXA2R P21731 2/20 0.39
PTGDR Q13258 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CETP P11597 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL134781 0.96 MEN1 (0.46) ABL1RIN1MEN1KMT2AGAA
SCHEMBL137582 0.96 MEN1 (0.44) ABL1RIN1PTGDR2MEN1KMT2A
SCHEMBL134823 0.92 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRGAA
SCHEMBL136960 0.89 PRMT5 (0.44) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL151862 0.86 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCETP
SCHEMBL136777 0.85 HTR7 (0.47) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL134609 0.84 PTGDR2 (0.47) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL134636 0.83 KDM4E (0.52) PTGDR2KMT2A
SCHEMBL134633 0.83 KDM4E (0.52) PTGDR2KMT2A
SCHEMBL137406 0.83 ABL1 (0.48) ABL1RIN1PTGDR2KMT2AJAK2

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 ABL1 3888/4885RIN1 4058/4885PTGDR2 2/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885PTGDR2 2/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885PTGDR2 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.