SCHEMBL803972

SCHEMBL803972

COOCc1ccc2c(C3CCCCC3)c(Br)n(CCO)c2c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL10283559 0.89 HDAC1 (0.33) HDAC1HDAC8HDAC6
SCHEMBL13285901 0.87 HDAC1 (0.34) HDAC1HDAC8HDAC6
SCHEMBL804648 0.85 HDAC1 (0.36) HDAC1HDAC8HDAC6
SCHEMBL10283233 0.85 CNR2 (0.37) HDAC1HDAC8HDAC6
SCHEMBL803865 0.83 NPC1 (0.38) HDAC1HDAC8HDAC6
SCHEMBL804029 0.83 HDAC1 (0.35) HDAC1HDAC8HDAC6
SCHEMBL10283189 0.83 HDAC1 (0.39) HDAC1HDAC8HDAC6
SCHEMBL803857 0.82 ESR1 (0.34) HDAC1HDAC8HDAC6
SCHEMBL10283241 0.82 CNR2 (0.36) HDAC1HDAC8HDAC6
SCHEMBL804620 0.81 TP53 (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 4 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP 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 HDAC1 182/4885HDAC8 380/4885HDAC6 82/4885

“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.