SCHEMBL804620

SCHEMBL804620

CCCCOc1ccccc1OCCn1c(Br)c(C2CCCCC2)c2ccc(COOC)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HRH2 P25021 2/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL13285756 0.90 TP53 (0.36) TP53HDAC1HDAC8HDAC6HRH2
SCHEMBL13286268 0.88 TP53 (0.35) TP53HDAC1HDAC8HDAC6HRH2
SCHEMBL14607007 0.82 HDAC1 (0.41) TP53HDAC1HDAC8HDAC6HRH2
SCHEMBL803972 0.81 HDAC1 (0.35) HDAC1HDAC8HDAC6
SCHEMBL10283559 0.81 HDAC1 (0.33) HDAC1HDAC8HDAC6
SCHEMBL803865 0.79 NPC1 (0.38) HDAC1HDAC8HDAC6
SCHEMBL13285901 0.79 HDAC1 (0.34) HDAC1HDAC8HDAC6
SCHEMBL10283189 0.79 HDAC1 (0.39) HDAC1HDAC8HDAC6
SCHEMBL804029 0.77 HDAC1 (0.35) HDAC1HDAC8HDAC6
SCHEMBL804648 0.76 HDAC1 (0.36) HDAC1HDAC8HDAC6HRH3

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 TP53 559/4885HDAC1 182/4885HDAC8 380/4885

“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.