SCHEMBL7196754

SCHEMBL7196754

COc1cc(C2CC(=O)c3c(O)cc(O)cc3O2)cc(OC)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.78
CYP1A2 P05177 5/20 0.78
CYP1B1 Q16678 5/20 0.78
POLB P06746 1/20 0.78
CYP3A4 P08684 5/20 0.74
CYP19A1 P11511 5/20 0.74
CYP2C9 P11712 3/20 0.74
CYP2C19 P33261 3/20 0.74
HSD17B10 Q99714 3/20 0.74
TP53 P04637 2/20 0.74
XDH P47989 2/20 0.74
CA12 O43570 2/20 0.74
CA4 P22748 2/20 0.74
DPP4 P27487 2/20 0.74
CA7 P43166 2/20 0.74
GSK3B P49841 2/20 0.74
MAPT P10636 2/20 0.74
CYP2D6 P10635 2/20 0.74
HPGD P15428 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74

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
SCHEMBL5084370 0.91 CYP1A1 (0.77) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL29411740 0.88 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL30383489 0.88 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL39497 0.88 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP3A4
SCHEMBL31028356 0.88 CYP19A1 (0.87) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL30016824 0.88 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL2307702 0.88 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL2019518 0.87 CYP1A1 (0.98) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL2024548 0.87 CYP1A1 (0.98) CYP1A1CYP1A2CYP1B1POLBCYP3A4
Homoeriodictyol SCHEMBL7535609 0.87 CYP1A1 (0.98) CYP1A1CYP1A2CYP1B1POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 US claimed
CN-112471303-A A preparation method of strawberry tea containing flos Citri Grandis as main ingredient 彭发明 2021-03-12 CN disclosed
CN-108743583-B Application of sesquiterpene lactone compound in centipeda minima in preparation of antiviral drug 暨南大学 2021-02-09 CN disclosed
CN-112063663-A Fermentation method for high-yield phellinus igniarius extracellular flavonoids 浙江省农业科学院 2020-12-11 CN disclosed
CN-109381750-B Anticoagulation conveniently-taken heart stent 张锋 2020-08-18 CN disclosed
EP-1286706-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS The American National Red Cross (US) 2003-03-05 EP disclosed
WO-2001087357-A2 GAMMA IRRADIATION OF PROTEIN-BASED PHARMACEUTICAL PRODUCTS THE AMERICAN NATIONAL RED CROSS (US) 2001-11-22 WO disclosed
US-4617293-A Flavonoid phosphate salts of aminoglycoside antibiotics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1986-10-14 US disclosed
EP-0065123-B1 HARDLY SOLUBLE SALTS OF AMINOGLYCOSIDE ANTIBIOTICS MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
EP-0065123-A1 Hardly soluble salts of aminoglycoside antibiotics MERCK PATENT GmbH (DE) 1982-11-24 EP disclosed