SCHEMBL137582

SCHEMBL137582

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CNC2CCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
TP53 P04637 1/20 0.39

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 0.98 MEN1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL136927 0.96 ABL1 (0.42) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL134823 0.88 PTGDR2 (0.49) GAAPTGDR2
SCHEMBL136960 0.87 PRMT5 (0.44) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL154016 0.86 PTGDR2 (0.56) PTGDR2
SCHEMBL149493 0.84 PTGDR2 (0.56) PTGDR2
SCHEMBL136777 0.84 HTR7 (0.47) GAAABL1RIN1ALDH1A1PTGDR2
SCHEMBL151862 0.82 PTGDR2 (0.58) PTGDR2
SCHEMBL134779 0.82 PTGDR2 (0.50) KDM4EABL1RIN1ALDH1A1PTGDR2
SCHEMBL134609 0.82 PTGDR2 (0.47) GAAABL1RIN1PTGDR2JAK2

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 MEN1 4792/4885KMT2A 4559/4885NPC1 1785/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4792/4885KMT2A 4559/4885NPC1 1785/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4792/4885KMT2A 4559/4885NPC1 1785/4885

“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.