SCHEMBL804641

SCHEMBL804641

COCOc1ccc(-c2[nH]c3cc(COOC)ccc3c2C2CCCCC2)c(OCOC)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.31
MAOA P21397 2/20 0.31
S1PR1 P21453 1/20 0.31
MAOB P27338 1/20 0.31
DYRK1A Q13627 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
SCHEMBL772671 0.81 EGFR (0.41) DYRK1A
SCHEMBL13285903 0.80 ESR1 (0.33) TLR9
SCHEMBL13286189 0.79 PDE5A (0.33) TLR9
SCHEMBL804157 0.79 HTR2A (0.33) TLR9
SCHEMBL13285988 0.78 TLR9 (0.37) TLR9MAOAS1PR1DYRK1A
SCHEMBL12510265 0.77 NPC1 (0.32)
SCHEMBL804035 0.77 HTR2A (0.34) TLR9
SCHEMBL803802 0.77 BCHE (0.36)
SCHEMBL2281027 0.77 EGFR (0.41) TLR9
SCHEMBL10283243 0.75 HTR2A (0.39)

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 1348/4885MAOA 2994/4885S1PR1 4497/4885

“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.