SCHEMBL803872

SCHEMBL803872

CCC1CCCN(CCCN2CCn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(C)cc32)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 2/20 0.34
NR1I2 O75469 3/20 0.34
ESR1 P03372 2/20 0.33
KCNH2 Q12809 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
SCN5A Q14524 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
CCR3 P51677 2/20 0.31
DPP4 P27487 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
SCHEMBL10283578 0.95 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428553 0.95 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL10283736 0.95 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2KCNH2
SCHEMBL12428329 0.92 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2ESR1
SCHEMBL10283276 0.92 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2ESR1
SCHEMBL10283724 0.91 PRKCA (0.43) PRKCAMMP12KDM4EALDH1A1
SCHEMBL12428066 0.91 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2ESR1
SCHEMBL12428068 0.91 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2ESR1
SCHEMBL803936 0.91 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2ESR1
SCHEMBL803754 0.90 PRKCA (0.42) 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 1 patent. 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

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.