SCHEMBL29409808

SCHEMBL29409808

COc1cc(O)c2c(ccc3cc(O)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.53
BCR P11274 4/20 0.53
ABCB1 P08183 3/20 0.53
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
MGAM O43451 1/20 0.46
CYP3A4 P08684 1/20 0.42
TTR P02766 2/20 0.42
CYP1A1 P04798 2/20 0.42
ALOX5 P09917 2/20 0.42
PTGS2 P35354 2/20 0.42
CYP1B1 Q16678 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NQO2 P16083 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL29409811 1.00 ABL1 (0.53) ABL1BCRABCB1ESR1ESR2
SCHEMBL22657846 1.00 ABL1 (0.53) ABL1BCRABCB1ESR1ESR2
SCHEMBL29291367 1.00 ABL1 (0.53) ABL1BCRABCB1ESR1ESR2
SCHEMBL28768432 0.87 ABL1 (0.50) ABL1BCRABCB1ESR1ESR2
SCHEMBL18966088 0.82 ABL1 (0.55) ABL1BCRABCB1ESR1ESR2
SCHEMBL11504892 0.81 POLB (0.55) ABL1MGAMCYP3A4ALOX5MEN1
SCHEMBL21582176 0.81 NQO2 (0.48) ABL1BCRABCB1ESR1ESR2
Nudol SCHEMBL3971615 0.78 TUBB4A (0.54) ABL1BCRABCB1ESR1ESR2
Flavanthrinin SCHEMBL30544846 0.77 ESR1 (0.51) ABL1BCRABCB1ESR1ESR2
Flavanthrinin SCHEMBL29054933 0.77 ESR1 (0.51) ABL1BCRABCB1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3968976-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2022-03-23 EP claimed
US-20220062199-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF NESTLE SA (CH) 2022-03-03 US claimed
EP-3968976-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2022-03-23 EP disclosed
US-20220062199-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF NESTLE SA (CH) 2022-03-03 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 (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-20220062199-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF PRKAG2, PRKAG1, PRKAG3 ABL1 1962/4885BCR 4145/4885ABCB1 2602/4885

“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.