SCHEMBL4036073

SCHEMBL4036073

COc1cc(-c2oc3ccc(I)cc3c(=O)c2O)cc(OC)c1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
TP53 P04637 6/20 0.57
RXFP1 Q9HBX9 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 6/20 0.51
CYP3A4 P08684 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 5/20 0.51
CASP1 P29466 3/20 0.51
CASP7 P55210 3/20 0.51
HSD17B10 Q99714 3/20 0.51
LMNA P02545 2/20 0.51
PPARG P37231 1/20 0.48
ACHE P22303 2/20 0.46
BACE1 P56817 1/20 0.46
ABCB1 P08183 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3339178 0.92 ABCB1 (0.53) MAPTTP53RXFP1POLBKDM4E
SCHEMBL13654318 0.84 MAPT (0.59) MAPTTP53RXFP1POLBKDM4E
SCHEMBL4037848 0.83 MAPT (0.52) MAPTTP53RXFP1POLBKDM4E
SCHEMBL3343972 0.83 PPARG (0.55) MAPTTP53KDM4ECYP3A4ALDH1A1
SCHEMBL4035682 0.82 MAPT (0.49) MAPTTP53RXFP1POLBKDM4E
SCHEMBL4038498 0.80 PPARG (0.54) MAPTKDM4ECYP3A4ALDH1A1MEN1
SCHEMBL6897378 0.80 ABCB1 (0.72) MAPTTP53POLBKDM4ECYP3A4
SCHEMBL30667382 0.79 ABCG2 (0.58) MAPTTP53RXFP1POLBKDM4E
SCHEMBL4034217 0.79 TP53 (0.46) MAPTTP53RXFP1POLBKDM4E
SCHEMBL1421812 0.78 MAPT (0.61) MAPTTP53RXFP1POLBKDM4E

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