SCHEMBL792765

SCHEMBL792765

CCc1ccc2c(C3CCCCC3)c(Br)n(CCOCc3ccccc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PRKDC P78527 1/20 0.33
KMT2A Q03164 3/20 0.33
KCNH2 Q12809 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MCHR1 Q99705 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL773607 0.84 ADORA3 (0.39) TLR8TLR7ALDH1A1ADORA3
SCHEMBL792410 0.78 HRH2 (0.37) LTA4H
SCHEMBL792766 0.77 TLR9 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10283173 0.67 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1
SCHEMBL792770 0.66 MAOB (0.44) PRKDCALDH1A1MCHR1
SCHEMBL773608 0.65 GABRA2 (0.41) ADORA2AKMT2ATLR8TLR7MEN1
SCHEMBL772336 0.62 LTA4H (0.38) LTA4H
SCHEMBL771437 0.61 ALDH1A1 (0.39) ALDH1A1
SCHEMBL8192926 0.61 ALDH1A1 (0.48) ADORA2AADORA1ALDH1A1ADORA3CDK4
SCHEMBL12597539 0.61 CYP1A2 (0.42) KMT2AMEN1ALDH1A1

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 LTA4H 3551/4885ADORA2A 4705/4885ADORA1 4682/4885

“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.