SCHEMBL804126

SCHEMBL804126

CCOOCc1ccc2c(C3CCCCC3)c3n(c2n1)CCOc1cc(O)ccc1-3

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PRKCA P17252 1/20 0.31
MMP12 P39900 1/20 0.31
GRIA1 P42261 1/20 0.31
ESRRB O95718 1/20 0.31
ESRRA P11474 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
SCHEMBL792412 0.90 ESRRB (0.37) MAOAMAOBPRKCAMMP12GRIA1
SCHEMBL803848 0.85 MAOB (0.42) MAOAMAOB
SCHEMBL14572879 0.84 ALDH1A1 (0.37) MAOAMAOBPRKCAMMP12
SCHEMBL10283230 0.78 TYR (0.33)
SCHEMBL792770 0.76 MAOB (0.44) MAOAMAOB
SCHEMBL13285979 0.75 MEN1 (0.32)
SCHEMBL804469 0.75
SCHEMBL803860 0.74 PRKCA (0.37) MAOAMAOBPRKCAMMP12
SCHEMBL804147 0.74 TMEM97 (0.37)
SCHEMBL792695 0.73 PRKCA (0.39) MAOAMAOBPRKCAMMP12

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 MAOA 2994/4885MAOB 2789/4885PRKCA 2404/4885

“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.