SCHEMBL137274

SCHEMBL137274

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.43
▸ RIN1 Q13671 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGDR2 Q9Y5Y4 5/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KLK7 P49862 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CETP P11597 1/20 0.36
▸ LPAR1 Q92633 2/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL135835 0.91 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRGAA
SCHEMBL168338 0.86 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCETPLMNA
SCHEMBL135823 0.82 ABL1 (0.46) ABL1RIN1L3MBTL1PTGDR2JAK2
SCHEMBL137363 0.79 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCETP
SCHEMBL137362 0.79 PTGDR2 (0.45) ABL1RIN1L3MBTL1PTGDR2JAK2
SCHEMBL134674 0.78 ABL1 (0.49) ABL1RIN1L3MBTL1JAK2JAK3
SCHEMBL153274 0.77 PTGDR2 (0.61) PTGDR2TBXA2RPTGDR
SCHEMBL137518 0.76 ABL1 (0.50) ABL1RIN1L3MBTL1PTGDR2JAK2
SCHEMBL134810 0.76 PTGDR2 (0.41) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL17124777 0.76 JAK2 (0.55) 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 4058/4885L3MBTL1 4576/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885L3MBTL1 4576/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ABL1 3888/4885RIN1 4058/4885L3MBTL1 4576/4885

“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.

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