SCHEMBL803756

SCHEMBL803756

Cc1ccc2c(c1)N(CCCN1CCCOCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 4/20 0.38
NR1I2 O75469 1/20 0.37
AVPR2 P30518 5/20 0.35
MAPK14 Q16539 1/20 0.34
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL803863 0.96 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2PTGER4
SCHEMBL12427613 0.94 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2PTGER4
SCHEMBL12428068 0.93 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL12428066 0.93 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL803936 0.93 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL803875 0.92 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL12427981 0.91 PRKCA (0.41) PRKCAMMP12SCN9ANR1I2AVPR2
SCHEMBL12427895 0.90 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL803833 0.90 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2KDM4E
SCHEMBL804612 0.90 PRKCA (0.45) PRKCAMMP12SCN9ANR1I2KDM4E

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.