SCHEMBL804684

SCHEMBL804684

COOCc1ccc2c(C3CCCCC3)c(-c3cccn3C(=O)OC(C)(C)C)n(CCCCl)c2c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PIM1 P11309 1/20 0.31
MARK3 P27448 1/20 0.31
MAP4K2 Q12851 1/20 0.31
CAMK2B Q13554 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ATR Q13535 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
SCHEMBL13286184 0.93 CNR2 (0.33) HSP90AA1HSP90AB1HDAC1HDAC8HDAC6
SCHEMBL792783 0.88 HSP90AA1 (0.35) HSP90AA1HSP90AB1PIM1MARK3MAP4K2
SCHEMBL772476 0.86 SCN9A (0.36) HSP90AA1HSP90AB1HDAC1HDAC8HDAC6
SCHEMBL804150 0.78 PIM1 (0.36) HSP90AA1HSP90AB1HDAC1HDAC8HDAC6
SCHEMBL804640 0.76 HDAC1 (0.31) HDAC1HDAC8HDAC6
SCHEMBL10283557 0.71 CNR2 (0.37) HDAC1HDAC8HDAC6
SCHEMBL10283242 0.71 PIM1 (0.37) HDAC1HDAC8HDAC6PIM1PIM3
SCHEMBL803864 0.70 LIPG (0.39)
SCHEMBL13886662 0.70 PRKCA (0.35) HDAC1HDAC8HDAC6
SCHEMBL10283241 0.70 CNR2 (0.36) HDAC1HDAC8HDAC6

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 HSP90AA1 2103/4885HSP90AB1 1963/4885HDAC1 182/4885

“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.