SCHEMBL21621454

SCHEMBL21621454

CC(=O)Oc1c(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)oc2cc(OC(C)C)cc(OC(C)=O)c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.60
KDM4E B2RXH2 8/20 0.42
CYP3A4 P08684 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPK1 P28482 3/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 5/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
APEX1 P27695 1/20 0.39
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL21621457 0.92 ADORA3 (0.71) ADORA3KDM4ECYP3A4ALDH1A1MEN1
SCHEMBL21621458 0.87 ADORA3 (0.57) ADORA3KDM4ECYP3A4ALDH1A1MEN1
SCHEMBL21621459 0.81 ADORA3 (0.61) ADORA3KDM4ECYP3A4ALDH1A1MEN1
SCHEMBL1664667 0.76 ADORA3 (1.00) ADORA3KDM4ECYP3A4ALDH1A1MEN1
SCHEMBL23512212 0.74 ADORA3 (0.67) ADORA3KDM4ECYP3A4ALDH1A1MEN1
Pentaacetylquercetin SCHEMBL4064499 0.73 ADORA3 (0.77) ADORA3KDM4ECYP3A4ALDH1A1MEN1
Kaempferol Tetraacetate SCHEMBL10379364 0.73 ADORA3 (0.84) ADORA3KDM4ECYP3A4ALDH1A1MEN1
SCHEMBL21621475 0.73 ADORA3 (0.55) ADORA3KDM4ECYP3A4ALDH1A1MEN1
SCHEMBL22710236 0.72 ADORA3 (0.42) ADORA3KDM4ECYP3A4ALDH1A1MEN1
SCHEMBL22710166 0.72 ADORA3 (0.41) ADORA3KDM4ECYP3A4ALDH1A1MEN1

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 4848/4885KDM4E 3213/4885CYP3A4 339/4885

“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.