SCHEMBL804181

SCHEMBL804181

COCCOC[C@@H]1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(C)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 3/20 0.34
KCNH2 Q12809 6/20 0.34
NR1I2 O75469 6/20 0.34
CYP3A4 P08684 3/20 0.33
SCN5A Q14524 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL12428544 0.94 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428047 0.94 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283551 0.94 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283283 0.93 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL12428079 0.93 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL803712 0.93 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL804202 0.93 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283219 0.92 PRKCA (0.42) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283508 0.92 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2
SCHEMBL10283613 0.90 PRKCA (0.40) PRKCAMMP12SCN9AKCNH2NR1I2

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 1013/4885SCN9A 3087/4885

“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.