SCHEMBL773729

SCHEMBL773729

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccc(C(=O)N[C@@](C)(C(=O)O)c3ccc(O)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.42
NR1I2 O75469 6/20 0.41
CYP3A4 P08684 4/20 0.41
SCN5A Q14524 2/20 0.41
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SCN9A Q15858 3/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL772331 1.00 KCNH2 (0.42) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL771553 0.89 NR1I2 (0.44) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL772488 0.88 NR1I2 (0.40) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL792968 0.88 NR1I2 (0.47) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL771823 0.88 NR1I2 (0.40) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL771934 0.87 NR1I2 (0.39) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL772061 0.86 NR1I2 (0.44) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL771928 0.86 KCNH2 (0.39) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL774668 0.85 PRKCA (0.42) KCNH2NR1I2CYP3A4SCN5APRKCA
SCHEMBL3788449 0.83 KCNH2 (0.42) KCNH2NR1I2CYP3A4SCN5APRKCA

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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 (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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KCNH2 3813/4885NR1I2 1189/4885CYP3A4 1341/4885

“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.