SCHEMBL7119192

SCHEMBL7119192

COc1ccc2c(=O)c(OC)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.81
KDM4E B2RXH2 4/20 0.74
ALDH1A1 P00352 4/20 0.74
CYP3A4 P08684 4/20 0.74
MAPT P10636 3/20 0.74
HPGD P15428 3/20 0.74
HSD17B10 Q99714 3/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
THRB P10828 1/20 0.74
ADORA3 P0DMS8 2/20 0.66
ABCB1 P08183 3/20 0.65
TDP1 Q9NUW8 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
SLC22A2 O15244 1/20 0.57
SLC22A1 O15245 1/20 0.57
TP53 P04637 1/20 0.56

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
Fisetin Tetramethyl Ether SCHEMBL7116147 0.90 ABCG2 (1.00) ABCG2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL3958745 0.89 ABCG2 (0.72) ABCG2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL5432990 0.88 ABCG2 (0.78) ABCG2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL25197634 0.85 CYP3A4 (0.72) ABCG2KDM4EALDH1A1CYP3A4MAPT
3,7-Dimethoxyflavone SCHEMBL4278796 0.85 ALDH1A1 (1.00) ABCG2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL1627832 0.84 KDM4E (0.82) ABCG2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL20464068 0.80 ADORA3 (1.00) ABCG2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL29864461 0.80 ADORA3 (1.00) ABCG2KDM4EALDH1A1CYP3A4MAPT
SCHEMBL6555693 0.80 PABPC1 (0.76) KDM4EALDH1A1CYP3A4MAPTHPGD
Combretol SCHEMBL20220721 0.79 ABCG2 (0.80) ABCG2KDM4EALDH1A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
WO-2024232198-A1 AUTOPHAGY ACTIVATOR AND COMPOSITION FOR AUTOPHAGY ACTIVATION 丸善製薬株式会社 2024-11-14 WO disclosed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed