SCHEMBL136997

SCHEMBL136997

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.43
CETP P11597 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
TBXA2R P21731 2/20 0.41
PTGDR Q13258 2/20 0.41
CTSD P07339 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
RECQL P46063 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL137170 0.91 ABL1 (0.46) ABL1RIN1EPHX2L3MBTL1GAA
SCHEMBL136044 0.89 GAA (0.51) GAAALDH1A1PTGDR2TBXA2RPTGDR
SCHEMBL137406 0.89 ABL1 (0.48) ABL1RIN1JAK2JAK3EPHX2
SCHEMBL137518 0.88 ABL1 (0.50) ABL1RIN1JAK2JAK3EPHX2
SCHEMBL136777 0.87 HTR7 (0.47) ABL1RIN1JAK2JAK3EPHX2
SCHEMBL134609 0.85 PTGDR2 (0.47) ABL1RIN1JAK2JAK3EPHX2
SCHEMBL12197445 0.85 ABL1 (0.45) ABL1RIN1JAK2JAK3EPHX2
SCHEMBL136913 0.84 PTGDR2 (0.45) ABL1RIN1JAK2JAK3EPHX2
SCHEMBL151784 0.84 PTGDR2 (0.60) CETPPTGDR2TBXA2RPTGDR
SCHEMBL137362 0.84 PTGDR2 (0.45) ABL1RIN1JAK2JAK3EPHX2

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 4058/4885JAK2 2034/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885JAK2 2034/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885JAK2 2034/4885

“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.