SCHEMBL771564

SCHEMBL771564

CC(C)(C)N(C(=O)O)C(Cc1ccc(OCc2ccccc2)cc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
ALOX5 P09917 4/20 0.50
LTA4H P09960 2/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
LAP3 P28838 1/20 0.49
PPARG P37231 4/20 0.49
PPARA Q07869 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PARP10 Q53GL7 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
PPARD Q03181 1/20 0.47

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
SCHEMBL771563 1.00 MAOB (0.51) MAOBALOX5LTA4HPTGS1PTGS2
SCHEMBL773504 0.91 MAOB (0.49) MAOBALOX5LTA4HPTGS1PTGS2
SCHEMBL773503 0.91 MAOB (0.49) MAOBALOX5LTA4HPTGS1PTGS2
SCHEMBL2492807 0.87 MAOB (0.53) MAOBALOX5LTA4HPTGS1PTGS2
SCHEMBL15674164 0.82 MEN1 (0.41) PPARGPPARAL3MBTL1FFAR1PPARD
SCHEMBL15674166 0.82 MEN1 (0.41) PPARGPPARAL3MBTL1FFAR1PPARD
SCHEMBL4234514 0.82 ALOX5 (0.55) MAOBALOX5LTA4HPTGS1PTGS2
SCHEMBL9679724 0.79 SOAT2 (0.45) MAOBALOX5LTA4HPTGS1PTGS2
SCHEMBL9679714 0.79 SOAT2 (0.45) MAOBALOX5LTA4HPTGS1PTGS2
SCHEMBL9679782 0.78 GPR34 (0.48) MAOBALOX5LTA4HPTGS1PTGS2

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 MAOB 2789/4885ALOX5 3664/4885LTA4H 3551/4885

“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.