SCHEMBL13040831

SCHEMBL13040831

COCC(=O)NCCC#C/C=C/CN[C@H](C)c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CASR P41180 2/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ BMP1 P13497 2/20 0.34

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
SCHEMBL13040832 0.89 EPHX2 (0.39) EPHX2SSTR4
SCHEMBL13040833 0.87 EPHX2 (0.38) EPHX2CASRSSTR4CYP2D6
SCHEMBL3734727 0.86 EPHX2 (0.41) EPHX2CASRSSTR4
SCHEMBL3734723 0.86 EPHX2 (0.41) EPHX2CASRSSTR4
SCHEMBL3734722 0.86 EPHX2 (0.41) EPHX2CASRSSTR4
SCHEMBL13040871 0.85 EPHX2 (0.48) EPHX2SSTR4BMP1
SCHEMBL13040870 0.85 EPHX2 (0.44) EPHX2CASRSSTR4BMP1
SCHEMBL13040869 0.85 EPHX2 (0.44) EPHX2CASRSSTR4BMP1
SCHEMBL13077619 0.84 EPHX2 (0.44) EPHX2MEN1KMT2ACASRSSTR4
SCHEMBL13040874 0.84 EPHX2 (0.45) EPHX2MEN1KMT2ACASR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — US disclosed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — US disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 — — WO 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 (1 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R EPHX2 1436/4885MEN1 202/4885KMT2A 4121/4885

“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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