SCHEMBL4650874

SCHEMBL4650874

COc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 1.00
CYP1B1 Q16678 11/20 1.00
CYP1A2 P05177 8/20 1.00
ABCG2 Q9UNQ0 5/20 1.00
ABCC1 P33527 4/20 1.00
ABCB1 P08183 3/20 1.00
PRKDC P78527 2/20 0.72
KDM4E B2RXH2 2/20 0.72
ALDH1A1 P00352 2/20 0.72
TP53 P04637 2/20 0.72
CYP3A4 P08684 2/20 0.72
MAPT P10636 2/20 0.72
HPGD P15428 2/20 0.72
HSD17B10 Q99714 2/20 0.72
PDE5A O76074 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP19A1 P11511 1/20 0.72
CYP2C9 P11712 1/20 0.72
TSHR P16473 1/20 0.72
CYP2B6 P20813 1/20 0.72

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
SCHEMBL20594586 0.85 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
SCHEMBL29407618 0.85 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
SCHEMBL1742227 0.85 CYP1A1 (0.73) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
SCHEMBL4650074 0.85 ABCG2 (1.00) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
SCHEMBL29361605 0.85 ABCG2 (1.00) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
Alpha-Naphthoflavone SCHEMBL29351090 0.84 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
Alpha-Naphthoflavone SCHEMBL121594 0.84 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
SCHEMBL31061133 0.82 PRKDC (1.00) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
SCHEMBL14708633 0.82 CSNK2A2 (1.00) CYP1A1CYP1B1CYP1A2ABCG2ABCC1
SCHEMBL14697066 0.82 CYP1A1 (0.77) CYP1A1CYP1B1CYP1A2ABCG2ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US claimed
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
EP-2730431-B1 Rubber composition and tire with rubber containing flavone GOODYEAR TIRE & RUBBER (US) 2017-06-28 EP disclosed
US-20140135433-A1 TIRE WITH RUBBER CONTAINING FLAVONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 2014-05-15 US disclosed
EP-2730431-A1 Rubber composition and tire with rubber containing flavone The Goodyear Tire & Rubber Company (US) 2014-05-14 EP disclosed
WO-2008141074-A1 IDENTIFICATION OF COMPOUNDS THAT PROTECT AGAINST AMYLOID DISEASES SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2008-11-20 WO disclosed
EP-1391327-B1 Tire with rubber containing flavone GOODYEAR TIRE & RUBBER (US) 2008-09-03 EP disclosed
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US disclosed
EP-1391327-A1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2004-02-25 EP disclosed
WO-2003057210-A1 COMPOSITIONS AND METHODS FOR INCREASING CELL PROLIFERATION COMPRISING A FLAVONOID KIMBERLY-CLARK WORLDWIDE, INC. (US) 2003-07-17 WO disclosed
US-20030125264-A1 Methods For Treating Wounds KIMBERLY-CLARK WORLDWIDE, INC. 2003-07-03 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125264-A1 Methods For Treating Wounds FGF2, MMP1, FIBP CYP1A1 1856/4885CYP1B1 1640/4885CYP1A2 1713/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.