SCHEMBL804202

SCHEMBL804202

CCOCC1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(C)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
KCNH2 Q12809 6/20 0.33
CYP3A4 P08684 3/20 0.33
SCN9A Q15858 3/20 0.33
SCN5A Q14524 2/20 0.33
NR1I2 O75469 6/20 0.33
ESR1 P03372 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL12428047 0.94 PRKCA (0.42) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL12428544 0.94 PRKCA (0.42) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL10283551 0.94 PRKCA (0.42) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL803987 0.93 PRKCA (0.40) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL804181 0.93 PRKCA (0.40) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL12428452 0.92 PRKCA (0.40) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL10283219 0.92 PRKCA (0.42) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL10283578 0.92 PRKCA (0.43) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL12428553 0.92 PRKCA (0.43) PRKCAMMP12KCNH2CYP3A4SCN9A
SCHEMBL10283736 0.92 PRKCA (0.43) PRKCAMMP12KCNH2CYP3A4SCN9A

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-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
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 1013/4885KCNH2 3813/4885

“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.