SCHEMBL21582171

SCHEMBL21582171

COc1cc(OCc2ccccc2)cc2ccc3cc(OCc4ccccc4)ccc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.56
▸ MAOB P27338 3/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ P2RY14 Q15391 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ACHE P22303 1/20 0.43
▸ APP P05067 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
SCHEMBL29409810 0.91 ALOX5 (0.55) ALOX5MAOBPDGFRBPDGFRANPC1
SCHEMBL19612377 0.82 ALOX5 (0.58) ALOX5MAOBPDGFRBPDGFRANPC1
SCHEMBL28103389 0.79 PDGFRB (0.57) ALOX5MAOBPDGFRBPDGFRANPC1
SCHEMBL19612485 0.79 ALOX5 (0.65) ALOX5MAOBPDGFRBPDGFRANPC1
SCHEMBL19612478 0.79 ALOX5 (0.65) ALOX5MAOBPDGFRBPDGFRANPC1
SCHEMBL7773493 0.77 ALOX5 (0.58) ALOX5MAOBPDGFRBPDGFRANPC1
SCHEMBL4077230 0.77 MTNR1A (0.47) ALOX5MAOBPDGFRBPDGFRAACHE
SCHEMBL13744712 0.77 MAOB (0.54) ALOX5MAOBPDGFRBPDGFRAMAPT
SCHEMBL7291737 0.77 MAOB (0.58) ALOX5MAOBPDGFRBPDGFRARAB9A
SCHEMBL18623122 0.76 MAOB (0.62) ALOX5MAOBPDGFRBPDGFRANPC1

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
US-11583507-B2 Direct AMPK activator compounds SOCIETE DES PRODUITS NESTLE S.A. (CH) 2023-02-21 — — US disclosed
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
EP-3801475-A1 DIRECT AMPK ACTIVATOR COMPOUNDS Société des Produits Nestlé S.A. (CH) 2021-04-14 — — EP disclosed
WO-2020229375-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF Société des Produits Nestlé S.A. (CH) 2020-11-19 — — WO disclosed
WO-2019228794-A1 DIRECT AMPK ACTIVATOR COMPOUNDS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2019-12-05 — — 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 (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-11583507-B2 Direct AMPK activator compounds PRKAG2, AK2, PRKAG3 ALOX5 1849/4885MAOB 3811/4885PDGFRB 3223/4885
US-20220062199-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF PRKAG2, PRKAG1, PRKAG3 ALOX5 3491/4885MAOB 3790/4885PDGFRB 2227/4885

“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.

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