SCHEMBL21621476

SCHEMBL21621476

CC(C)Oc1cc(OCc2ccccc2)cc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(O)c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ACE2 Q9BYF1 2/20 0.48
PPARG P37231 1/20 0.48
DPP4 P27487 1/20 0.46
XDH P47989 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
PLG P00747 1/20 0.45
ELANE P08246 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL31236657 0.91 L3MBTL1 (0.57) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL20610467 0.91 L3MBTL1 (0.57) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL29728699 0.91 L3MBTL1 (0.57) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL14254531 0.87 ACE2 (0.59) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL21621475 0.87 ADORA3 (0.55) KDM4ECYP3A4L3MBTL1ACE2PPARG
SCHEMBL4264761 0.83 L3MBTL1 (0.65) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL27919434 0.81 XDH (0.63) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL25022417 0.81 L3MBTL1 (0.48) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL25021799 0.81 L3MBTL1 (0.48) MAPTTP53KDM4ELMNACYP3A4
SCHEMBL21798840 0.80 CYP1A2 (0.65) MAPTTP53KDM4ELMNACYP3A4

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 MAPT 2100/4885TP53 799/4885KDM4E 3213/4885

“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.