SCHEMBL4035682

SCHEMBL4035682

CCc1cc2oc(-c3cc(OC)c(OCc4ccccc4)c(OC)c3)c(O)c(=O)c2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
TP53 P04637 5/20 0.49
RXFP1 Q9HBX9 3/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CASP1 P29466 4/20 0.46
CASP7 P55210 4/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
PPARG P37231 1/20 0.46
ABCB1 P08183 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 3/20 0.44

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
SCHEMBL4034217 0.86 TP53 (0.46) MAPTTP53RXFP1POLBCYP3A4
SCHEMBL13654254 0.85 MAPT (0.50) MAPTTP53RXFP1POLBCYP3A4
SCHEMBL4036073 0.82 MAPT (0.57) MAPTTP53RXFP1POLBCYP3A4
SCHEMBL3339178 0.82 ABCB1 (0.53) MAPTTP53RXFP1POLBCYP3A4
SCHEMBL1977887 0.81 MAPT (0.58) MAPTTP53RXFP1CYP3A4ALDH1A1
SCHEMBL1973404 0.81 MAPT (0.58) MAPTTP53RXFP1CYP3A4ALDH1A1
SCHEMBL4037848 0.79 MAPT (0.52) MAPTTP53RXFP1POLBCYP3A4
SCHEMBL30667382 0.79 ABCG2 (0.58) MAPTTP53RXFP1POLBCYP3A4
SCHEMBL6897378 0.78 ABCB1 (0.72) MAPTTP53POLBCYP3A4ALDH1A1
SCHEMBL1421812 0.76 MAPT (0.61) MAPTTP53RXFP1POLBCYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
EP-1534698-B1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RES INST (GB) 2007-09-19 EP disclosed
US-20060137207-A1 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2006-06-29 US disclosed
EP-1534698-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS The Rowett Research Institute (GB) 2005-06-01 EP disclosed
WO-2004007475-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RESEARCH INSTITUTE (GB) 2004-01-22 WO disclosed