SCHEMBL792724

SCHEMBL792724

Cc1ccc2c(C3CCCCC3)c(Br)n(CCO)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
CNR1 P21554 2/20 0.36
TP53 P04637 4/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
RAB9A P51151 2/20 0.33
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33
USP2 O75604 1/20 0.31

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
SCHEMBL792857 0.88 JAK2 (0.36) CNR2CNR1TP53MAPK1KDM4E
SCHEMBL792898 0.83 TP53 (0.39) CNR2CNR1TP53KDM4EPTGDR2
SCHEMBL792427 0.82 CNR2 (0.41) CNR2CNR1TP53KDM4ELMNA
SCHEMBL803972 0.81 HDAC1 (0.35)
SCHEMBL792856 0.81 CNR2 (0.36) CNR2CNR1TP53KDM4EPTGDR2
SCHEMBL772730 0.81 PKM (0.43) CNR2CNR1MAPK1KDM4ELMNA
SCHEMBL793031 0.80 ALDH1A1 (0.36) CNR2TP53LMNASMN1; SMN2PTGDR2
SCHEMBL13285997 0.80 ESR1 (0.39) CNR2CNR1CHRM1ADRA1A
SCHEMBL792722 0.80 KDM4C (0.40) CNR2CNR1RAB9ANPC1
SCHEMBL792858 0.80 KMT2A (0.39) MAPK1LMNATDP1RAB9A

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

“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.