SCHEMBL5085603

SCHEMBL5085603

COc1cc(OC)c2c(c1)OC(c1ccc(O)cc1)CC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.82
ALDH1A1 P00352 2/20 0.82
TAS2R31 P59538 2/20 0.82
MAPT P10636 2/20 0.82
ADORA3 P0DMS8 1/20 0.82
ATM Q13315 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
ABCG2 Q9UNQ0 2/20 0.78
CYP3A4 P08684 2/20 0.78
HPGD P15428 2/20 0.78
KDM4E B2RXH2 1/20 0.78
MAPK1 P28482 1/20 0.78
HSD17B10 Q99714 1/20 0.78
CYP1A1 P04798 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP1B1 Q16678 1/20 0.65
ROR1 Q01973 1/20 0.62
PDCD1 Q15116 1/20 0.60
CD274 Q9NZQ7 1/20 0.60
TP53 P04637 1/20 0.60

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
SCHEMBL18106040 0.91 ALDH1A1 (0.83) CYP19A1ALDH1A1TAS2R31MAPTADORA3
SCHEMBL30319723 0.91 ALDH1A1 (0.83) CYP19A1ALDH1A1TAS2R31MAPTADORA3
SCHEMBL4826267 0.91 ALDH1A1 (0.83) CYP19A1ALDH1A1TAS2R31MAPTADORA3
Sakuranetin SCHEMBL555541 0.90 CYP19A1 (1.00) CYP19A1ALDH1A1TAS2R31MAPTADORA3
SCHEMBL799649 0.90 TAS2R31 (0.72) CYP19A1ALDH1A1TAS2R31MAPTADORA3
SCHEMBL30641776 0.90 TAS2R31 (0.72) CYP19A1ALDH1A1TAS2R31MAPTADORA3
Sakuranetin SCHEMBL29928748 0.90 CYP19A1 (1.00) CYP19A1ALDH1A1TAS2R31MAPTADORA3
Sakuranetin SCHEMBL555542 0.90 CYP19A1 (1.00) CYP19A1ALDH1A1TAS2R31MAPTADORA3
SCHEMBL773766 0.90 TAS2R31 (0.72) CYP19A1ALDH1A1TAS2R31MAPTADORA3
Sakuranetin SCHEMBL14410473 0.90 CYP19A1 (1.00) CYP19A1ALDH1A1TAS2R31MAPTADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103285058-B Extraction method of Crossostephium chinense flavone UNIV ZHEJIANG OCEAN 2015-01-07 CN disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO 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 CYP19A1 214/4885ALDH1A1 2000/4885TAS2R31 2646/4885
US-20030125264-A1 Methods For Treating Wounds FGF2, MMP1, FIBP CYP19A1 460/4885ALDH1A1 2440/4885TAS2R31 4528/4885

“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.