SCHEMBL12427744

SCHEMBL12427744

COCCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.49
MMP12 P39900 1/20 0.49
SCN9A Q15858 3/20 0.41
NR1I2 O75469 3/20 0.40
HRH2 P25021 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGER4 P35408 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNH2 Q12809 4/20 0.36
GLP1R P43220 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL10283727 0.91 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2HRH2
SCHEMBL12428862 0.89 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL803868 0.88 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2HRH2
SCHEMBL804300 0.88 PRKCA (0.59) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL12428076 0.88 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL803839 0.88 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP2C9
SCHEMBL803965 0.88 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP2C9
SCHEMBL12427682 0.88 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL803874 0.88 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP2C9
SCHEMBL804124 0.88 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP2C9

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-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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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-20070049593-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.