SCHEMBL804157

SCHEMBL804157

COOCc1ccc2c(C3CCCCC3)c(-c3ccccc3OCCCl)[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.33
CARM1 Q86X55 2/20 0.33
TLR9 Q9NR96 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2C P28335 2/20 0.32
KCNH2 Q12809 2/20 0.32
TLR7 Q9NYK1 1/20 0.31
BRD4 O60885 1/20 0.31
IDO1 P14902 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
SCHEMBL13286189 0.93 PDE5A (0.33) HTR2ACARM1TLR9TLR7BRD4
SCHEMBL803802 0.85 BCHE (0.36) HTR2ADRD2HTR2CKCNH2
SCHEMBL13285988 0.84 TLR9 (0.37) HTR2ATLR9DRD2HTR2CKCNH2
SCHEMBL804035 0.84 HTR2A (0.34) HTR2ACARM1TLR9DRD2HTR2C
SCHEMBL772563 0.81 PARP1 (0.46)
SCHEMBL13285903 0.81 ESR1 (0.33) HTR2ATLR9DRD2HTR2CKCNH2
SCHEMBL10283239 0.80 HTR2A (0.32) HTR2ADRD2HTR2CKCNH2
SCHEMBL13965471 0.80 TUBB4A (0.33) HTR2ADRD2HTR2CKCNH2
SCHEMBL803746 0.80 HTR2A (0.32) HTR2ADRD2HTR2CKCNH2
SCHEMBL803590 0.80 PARP14 (0.36)

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 HTR2A 4863/4885CARM1 1667/4885TLR9 1348/4885

“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.