SCHEMBL792898

SCHEMBL792898

CC(=O)Cn1c(Br)c(C2CCCCC2)c2ccc(C)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
CNR1 P21554 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NR1I2 O75469 1/20 0.34
KDM4B O94953 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
DOHH Q9BU89 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL13286194 0.87 MEN1 (0.36) TP53ALDH1A1L3MBTL1
SCHEMBL12510206 0.86 TP53 (0.39) TP53CNR1PTGDR2CNR2ALDH1A1
SCHEMBL771509 0.83 ALDH1A1 (0.44) CNR1CNR2ALDH1A1NPC1HPGD
SCHEMBL792724 0.83 CNR2 (0.37) TP53CNR1PTGDR2CNR2NPC1
SCHEMBL804648 0.82 HDAC1 (0.36)
SCHEMBL792857 0.81 JAK2 (0.36) TP53CNR1PTGDR2CNR2NPC1
SCHEMBL792566 0.80 TP53 (0.35) TP53CNR1PTGDR2CNR2ALDH1A1
SCHEMBL792427 0.80 CNR2 (0.41) TP53CNR1PTGDR2CNR2ALDH1A1
SCHEMBL793031 0.78 ALDH1A1 (0.36) TP53PTGDR2CNR2ALDH1A1NPC1
SCHEMBL27653843 0.77 KDM4E (0.39) CNR1PTGDR2CNR2HPGDKDM4E

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 2 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

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 3860/4885PTGDR2 4522/4885

“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.