SCHEMBL13077619

SCHEMBL13077619

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ HPGD P15428 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ SPR P35270 1/20 0.40
▸ CACNA1B Q00975 1/20 0.39
▸ APBA1 Q02410 1/20 0.39
▸ SSTR4 P31391 1/20 0.39
▸ CASR P41180 2/20 0.39
▸ MLNR O43193 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD2 P14416 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
SCHEMBL13077955 0.87 EPHX2 (0.46) EPHX2LMNAGAASSTR4CASR
SCHEMBL13077953 0.85 EPHX2 (0.44) EPHX2LMNAGAASSTR4CASR
SCHEMBL13077957 0.84 EPHX2 (0.47) EPHX2LMNAGAAKMT2ASSTR4
SCHEMBL13040831 0.84 EPHX2 (0.38) EPHX2HPGDMCL1MEN1KMT2A
SCHEMBL13078019 0.83 EPHX2 (0.51) EPHX2LMNAGAASSTR4CASR
SCHEMBL13077828 0.83 EPHX2 (0.56) EPHX2LMNAGAASSTR4CASR
SCHEMBL13077918 0.83 EPHX2 (0.51) EPHX2LMNAGAASSTR4CASR
SCHEMBL13077829 0.82 EPHX2 (0.53) EPHX2HPGDLMNAGAAMEN1
SCHEMBL13077821 0.82 EPHX2 (0.45) EPHX2LMNAGAASSTR4CASR
SCHEMBL13077812 0.78 CASR (0.43) EPHX2LMNAGAACASRMLNR

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 2 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
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 1436/4885HPGD 1852/4885MCL1 4700/4885

“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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