SCHEMBL792766

SCHEMBL792766

CCc1ccc2c(C3CCCCC3)c(-c3ccc(OCOC)cc3OCOC)n(CCOCc3ccccc3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
MCHR1 Q99705 7/20 0.33
PRKDC P78527 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
KIT P10721 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
METTL3 Q86U44 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL771452 0.87 KIT (0.35) PRKDCKIT
SCHEMBL792767 0.86 ALDH1A1 (0.33) ALDH1A1NPSR1METTL3
SCHEMBL804581 0.80 LMNA (0.30) ALDH1A1NPSR1
SCHEMBL14607030 0.77 FAAH (0.34) ALDH1A1NPSR1
SCHEMBL792765 0.77 LTA4H (0.34) TLR7MCHR1PRKDCALDH1A1PSEN1
SCHEMBL13886764 0.74 LMNA (0.31)
SCHEMBL773233 0.74 FAAH (0.35) ALDH1A1
SCHEMBL771454 0.73 PPARG (0.37)
SCHEMBL792770 0.71 MAOB (0.44) MCHR1PRKDCGPR84ALDH1A1NPSR1
SCHEMBL771453 0.70 NR1H4 (0.39) TLR7ALDH1A1

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 TLR9 1348/4885TLR7 1087/4885MCHR1 4788/4885

“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.