SCHEMBL804170

SCHEMBL804170

CC(C)CCN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.52
MMP12 P39900 1/20 0.52
NR1I2 O75469 5/20 0.40
CCKBR P32239 3/20 0.39
SCN9A Q15858 1/20 0.36
KCNH2 Q12809 4/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SCN5A Q14524 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAB1 Q9Y478 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
SCHEMBL12427872 0.94 PRKCA (0.51) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427909 0.91 PRKCA (0.58) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427843 0.91 PRKCA (0.53) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427884 0.90 PRKCA (0.53) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL804300 0.89 PRKCA (0.59) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL10283727 0.89 PRKCA (0.51) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427797 0.89 PRKCA (0.51) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12428102 0.87 PRKCA (0.59) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427928 0.87 PRKCA (0.59) PRKCAMMP12NR1I2CCKBRSCN9A
SCHEMBL12427939 0.87 PRKCA (0.49) PRKCAMMP12NR1I2CCKBRSCN9A

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 1013/4885NR1I2 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.