SCHEMBL7127301

SCHEMBL7127301

COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.86
CYP1B1 Q16678 1/20 0.86

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
Cirsiliol SCHEMBL1614677 0.93 CYP1A1 (0.86) CYP1A1CYP1B1
Cirsiliol SCHEMBL29928874 0.93 CYP1A1 (0.86) CYP1A1CYP1B1
SCHEMBL10031342 0.92 CYP1A1 (0.81) CYP1A1CYP1B1
SCHEMBL30082755 0.92 CYP1A1 (1.00) CYP1A1CYP1B1
SCHEMBL1764630 0.92 CYP1A1 (1.00) CYP1A1CYP1B1
SCHEMBL8064387 0.91 KDM4E (0.83) CYP1A1CYP1B1
SCHEMBL19303454 0.88 CYP1A1 (0.68) CYP1A1CYP1B1
SCHEMBL29974436 0.87 KDM4E (0.81) CYP1A1CYP1B1
SCHEMBL7949579 0.87 KDM4E (0.81) CYP1A1CYP1B1
SCHEMBL29435880 0.87 KDM4E (0.73) CYP1A1CYP1B1

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 8 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
US-20240167066-A1 METHOD FOR PRODUCING DEMETHYLATED COMPOUND DAICEL CORPORATION (JP) 2024-05-23 US disclosed
WO-2022202961-A1 METHOD FOR PRODUCING DEMETHYLATED COMPOUND 株式会社ダイセル 2022-09-29 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