SCHEMBL803936

SCHEMBL803936

Cc1ccc2c(c1)N(CCCN1CCCC1)CCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
SCN9A Q15858 3/20 0.40
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
CCR3 P51677 3/20 0.34
NR1I2 O75469 2/20 0.34
CACNA1G O43497 2/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
ESR1 P03372 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
SCHEMBL12428066 1.00 PRKCA (0.44) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL12428068 1.00 PRKCA (0.44) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL803875 0.98 PRKCA (0.44) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL12427895 0.95 PRKCA (0.45) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL804612 0.95 PRKCA (0.45) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL803833 0.95 PRKCA (0.45) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL12427971 0.95 PRKCA (0.45) PRKCAMMP12SCN9AKDM4EL3MBTL1
SCHEMBL803756 0.93 PRKCA (0.42) PRKCAMMP12SCN9AKDM4ENR1I2
SCHEMBL10283724 0.92 PRKCA (0.43) PRKCAMMP12KDM4EALDH1A1
SCHEMBL803872 0.91 PRKCA (0.42) PRKCAMMP12SCN9AKDM4EALDH1A1

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-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
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 1013/4885SCN9A 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.