SCHEMBL4648917

SCHEMBL4648917

COc1cc2oc(-c3ccccc3)cc(=O)c2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 1.00
CYP2C19 P33261 5/20 1.00
HSD17B10 Q99714 4/20 1.00
ALDH1A1 P00352 4/20 1.00
TP53 P04637 3/20 1.00
CYP2D6 P10635 2/20 1.00
HPGD P15428 5/20 0.80
CYP3A4 P08684 5/20 0.80
CYP2C9 P11712 4/20 0.80
MAPT P10636 6/20 0.72
CYP19A1 P11511 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
ALOX15 P16050 1/20 0.72
ALOX12 P18054 1/20 0.72
CASP1 P29466 1/20 0.72
CASP7 P55210 1/20 0.72
CSNK2A2 P19784 6/20 0.63
CSNK2B P67870 6/20 0.63
CSNK2A1 P68400 6/20 0.63
RAB9A P51151 2/20 0.63

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
SCHEMBL13730323 0.95 KDM4E (0.90) KDM4ECYP2C19HSD17B10ALDH1A1TP53
SCHEMBL31527819 0.89 KDM4E (1.00) KDM4ECYP2C19HSD17B10ALDH1A1TP53
SCHEMBL4650049 0.89 KDM4E (1.00) KDM4ECYP2C19HSD17B10ALDH1A1TP53
SCHEMBL28016978 0.88 ALDH1A1 (0.79) KDM4ECYP2C19HSD17B10ALDH1A1TP53
Flavanone SCHEMBL5273130 0.86 KDM4E (0.76) KDM4ECYP2C19HSD17B10ALDH1A1TP53
Flavanone SCHEMBL980197 0.84 TP53 (1.00) KDM4ECYP2C19HSD17B10ALDH1A1TP53
Flavanone SCHEMBL29678059 0.84 TP53 (1.00) KDM4ECYP2C19HSD17B10ALDH1A1TP53
SCHEMBL17786520 0.84 KDM4E (0.80) KDM4ECYP2C19HSD17B10ALDH1A1TP53
SCHEMBL29129663 0.81 CYP2C19 (0.68) KDM4ECYP2C19HSD17B10ALDH1A1TP53
SCHEMBL8934505 0.81 CYP1A1 (0.69) KDM4ECYP2C19HSD17B10ALDH1A1TP53

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 12 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
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
CN-101089245-A Virtual screening method for compound pesticide effect matter base of traditional chinese medicine INST OF RADIOACTIVE MEDICINE C (CN) 2007-12-19 CN disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US 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

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

For each of this compound's patents that has machine-readable text (2 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 KDM4E 1065/4885CYP2C19 185/4885HSD17B10 1010/4885
US-20030125264-A1 Methods For Treating Wounds FGF2, MMP1, FIBP KDM4E 2309/4885CYP2C19 2389/4885HSD17B10 2250/4885

“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.