SCHEMBL792879

SCHEMBL792879

Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(O)cccc1-3

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
NR1I2 O75469 1/20 0.35
SCN9A Q15858 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ARF6 P62330 1/20 0.31
HTR1A P08908 2/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL793023 0.88 PRKCA (0.36) PRKCAMMP12NR1I2SCN9APIK3CA
SCHEMBL804242 0.85 PRKCA (0.36) PRKCAMMP12NR1I2SCN9A
SCHEMBL792596 0.84 PRKCA (0.34) PRKCAMMP12NR1I2SCN9AGAA
SCHEMBL771620 0.84 PRKCA (0.43) PRKCAMMP12NR1I2SCN9AKDM4E
SCHEMBL792977 0.84 CACNB4 (0.36) PRKCAMMP12NR1I2SCN9AMAPT
SCHEMBL803702 0.83 PRKCA (0.36) PRKCAMMP12NR1I2SCN9A
SCHEMBL792437 0.83 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AMAPT
SCHEMBL792695 0.81 PRKCA (0.39) PRKCAMMP12NR1I2SCN9AMAPT
SCHEMBL792715 0.81 DRD2 (0.36) PRKCAMMP12NR1I2SCN9A
SCHEMBL792640 0.81 PRKCA (0.39) PRKCAMMP12NR1I2SCN9AMAPT

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.