SCHEMBL21621475

SCHEMBL21621475

CC(=O)Oc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(OC(C)C)c2c1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.55
PPARG P37231 1/20 0.51
ACE2 Q9BYF1 2/20 0.49
ELANE P08246 4/20 0.48
PLG P00747 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL21621476 0.87 MAPT (0.52) PPARGACE2ELANEPLGL3MBTL1
SCHEMBL7948778 0.87 PPARG (0.60) ADORA3PPARGACE2ELANEPLG
Benzquercin SCHEMBL1057326 0.82 PPARG (0.66) ADORA3PPARGACE2ELANEPLG
SCHEMBL31236659 0.81 ADORA3 (0.69) ADORA3PPARGACE2ELANEPLG
SCHEMBL20630735 0.81 ADORA3 (0.69) ADORA3PPARGACE2ELANEPLG
SCHEMBL7545480 0.81 PPARG (0.70) ADORA3PPARGACE2ELANEPLG
SCHEMBL16160543 0.80 PPARG (0.58) ADORA3PPARGACE2ELANEPLG
SCHEMBL28573367 0.79 PPARG (0.53) ADORA3PPARGACE2ELANEPLG
SCHEMBL1144343 0.79 ACE2 (0.62) ADORA3PPARGACE2PLG
SCHEMBL20630746 0.79 ACE2 (0.55) ADORA3PPARGACE2ELANEPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139447-A1 Lipophenolic Flavonoid Derivatives Useful To Reduce Carbonyl And Oxidative Stresses (COS) CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-05-13 US disclosed
WO-2020012003-A1 LIPOPHENOLIC FLAVONOID DERIVATIVES USEFUL TO REDUCE CARBONYL AND OXIDATIVE STRESSES (COS) CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2020-01-16 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-20210139447-A1 Lipophenolic Flavonoid Derivatives Useful To Reduce Carbonyl And Oxidative Stresses (COS) LPO, NQO1, CAT ADORA3 4848/4885PPARG 336/4885ACE2 914/4885

“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.