SCHEMBL803987

SCHEMBL803987

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
SCN9A Q15858 1/20 0.33
NR1I2 O75469 5/20 0.32
HRH2 P25021 4/20 0.32
KCNH2 Q12809 5/20 0.32
CYP3A4 P08684 1/20 0.32
SCN5A Q14524 1/20 0.32
ESR1 P03372 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CCKBR P32239 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL804202 0.93 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428079 0.93 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283283 0.93 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL803712 0.93 PRKCA (0.40) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL803754 0.92 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12429172 0.92 PRKCA (0.39) PRKCAMMP12SCN9ANR1I2HRH2
SCHEMBL12429151 0.91 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283578 0.91 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428553 0.91 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283736 0.91 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2

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.