SCHEMBL792566

SCHEMBL792566

CC(=O)Cn1c(-c2ccc(C)cc2N)c(C2CCCCC2)c2ccc(C)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 3/20 0.32
ARF6 P62330 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PAX8 Q06710 1/20 0.31
NR1I2 O75469 1/20 0.30
KDM4B O94953 1/20 0.30

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
SCHEMBL13285760 0.93 PRKCA (0.36) TP53PTGDR2PRKCAMMP12SCN9A
SCHEMBL773522 0.90 ALDH1A1 (0.38) CNR2PRKCAMMP12ALDH1A1SCN9A
SCHEMBL10283174 0.88 TP53 (0.32) TP53PTGDR2
SCHEMBL792898 0.80 TP53 (0.39) TP53CNR1CNR2PTGDR2ALDH1A1
SCHEMBL12510206 0.80 TP53 (0.39) TP53CNR1CNR2PTGDR2ALDH1A1
SCHEMBL792852 0.80 POLB (0.38) TP53PTGDR2KDM4E
SCHEMBL792813 0.77 TSHR (0.36) CNR2ALDH1A1KDM4ELMNACYP1A2
SCHEMBL804338 0.74
SCHEMBL792694 0.72 ESR1 (0.38) TP53CNR1CNR2ARF6KDM4E
SCHEMBL14435329 0.71 PRKCA (0.48) PTGDR2PRKCAMMP12SCN9AKDM4E

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 TP53 559/4885CNR1 3860/4885CNR2 4449/4885

“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.