SCHEMBL803711

SCHEMBL803711

CCOC(=O)CCNC(=O)NC1CCCC(C)C1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.55
EPHX1 P07099 12/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.41

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
SCHEMBL803940 0.83 EPHX2 (0.56) EPHX2EPHX1KDM4EALDH1A1
SCHEMBL13476616 0.82 EPHX2 (0.55) EPHX2EPHX1KDM4EALDH1A1
SCHEMBL23081209 0.78 EPHX1 (0.49) EPHX2EPHX1KDM4EALDH1A1KMT2A
SCHEMBL23119053 0.78 EPHX1 (0.49) EPHX2EPHX1KDM4EALDH1A1KMT2A
SCHEMBL15750233 0.75 EPHX2 (0.78) EPHX2EPHX1
SCHEMBL3665533 0.75 SMYD3 (0.43) EPHX2ALDH1A1
SCHEMBL3667582 0.74 SMYD3 (0.44) EPHX2KDM4EALDH1A1
SCHEMBL3532178 0.70 EPHX2 (0.45) EPHX2KDM4EALDH1A1KMT2A
SCHEMBL23573418 0.69 EPHX1 (0.42) EPHX2EPHX1KDM4EALDH1A1
SCHEMBL12850356 0.69 EPHX2 (0.58) EPHX2EPHX1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 EPHX2 2282/4885EPHX1 3653/4885KDM4E 2725/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX2 2282/4885EPHX1 3653/4885KDM4E 2725/4885

“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.