SCHEMBL792725

SCHEMBL792725

CN(C)C(=O)C1Cn2c(c(C3CCCCC3)c3ccc(OC=O)cc32)-c2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
NR1I2 O75469 6/20 0.35
KCNH2 Q12809 6/20 0.33
CYP3A4 P08684 3/20 0.33
SCN5A Q14524 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN9A Q15858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL14572876 0.89 PRKCA (0.48) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL792358 0.87 PRKCA (0.52) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL772023 0.84 PRKCA (0.65) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL771191 0.84 PRKCA (0.54) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL14572875 0.80 PRKCA (0.49) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL792720 0.79 PRKCA (0.45) PRKCAMMP12NR1I2SCN9A
SCHEMBL792515 0.79 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL792822 0.78 PRKCA (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL14572877 0.76 PRKCA (0.45) PRKCAMMP12ALDH1A1MAPTHPGD
SCHEMBL792760 0.76 PRKCA (0.48) PRKCAMMP12ALDH1A1MAPTHPGD

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 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885

“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.