SCHEMBL21582167

SCHEMBL21582167

O=Cc1cc(OCc2ccccc2)ccc1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.56
▸ MAOA P21397 2/20 0.56
▸ ALOX5 P09917 1/20 0.51
▸ CCNB2 O95067 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CDK4 P11802 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCND1 P24385 1/20 0.48
▸ CCNB3 Q8WWL7 1/20 0.48
▸ TOP1 P11387 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ BCHE P06276 2/20 0.46
▸ GSTP1 P09211 1/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL29475632 1.00 MAOB (0.56) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL6246117 0.88 MAOB (0.56) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL8327914 0.85 MAOA (0.61) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL3615463 0.83 MAOB (0.58) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL7426013 0.81 MAOB (0.56) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL1588758 0.81 BACE1 (0.57) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL20767540 0.81 MAOB (0.56) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL3621341 0.81 MAOB (0.56) MAOBMAOAALOX5ERN1LMNA
SCHEMBL16319302 0.81 MAOB (0.56) MAOBMAOAALOX5CCNB2CDK1
SCHEMBL29901179 0.81 MAOB (0.56) MAOBMAOAALOX5ERN1LMNA

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 13 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
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
CN-113784708-A Phenanthrene AMPK activator compounds, compositions, methods, and uses thereof 雀巢产品有限公司 2021-12-10 — — CN disclosed
EP-3801475-A1 DIRECT AMPK ACTIVATOR COMPOUNDS Société des Produits Nestlé S.A. (CH) 2021-04-14 — — EP disclosed
US-20210038536-A1 DIRECT AMPK ACTIVATOR COMPOUNDS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2021-02-11 — — US disclosed
US-20210038536-A1 DIRECT AMPK ACTIVATOR COMPOUNDS SOCIETE DES PRODUITS NESTLE S.A. (CH) 2021-02-11 — — US disclosed
CN-112203647-A Direct AMPK activator compounds 雀巢产品有限公司 2021-01-08 — — CN 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-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
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 (3 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 MAOB 3811/4885MAOA 3259/4885ALOX5 1849/4885
US-20210038536-A1 DIRECT AMPK ACTIVATOR COMPOUNDS PRKAG2, AK2, PRKAG3 MAOB 3811/4885MAOA 3259/4885ALOX5 1849/4885
US-20220062199-A1 PHENANTHRENE AMPK ACTIVATOR COMPOUNDS, COMPOSITIONS, METHODS AND USES THEREOF PRKAG2, PRKAG1, PRKAG3 MAOB 3790/4885MAOA 2753/4885ALOX5 3491/4885

“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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