SCHEMBL9747985

SCHEMBL9747985

COc1c(O)ccc2c1oc(=O)c1ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.65
ESR2 Q92731 4/20 0.65
MAOB P27338 2/20 0.60
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 2/20 0.54
RECQL P46063 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
APEX1 P27695 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
ESR1 P03372 1/20 0.49
RELA Q04206 1/20 0.48

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
SCHEMBL25906244 0.81 MAOA (0.62) MAOAESR2MAOBKDM4EALDH1A1
SCHEMBL6825266 0.79 ESR2 (1.00) MAOAESR2KDM4EALDH1A1HPGD
SCHEMBL7987277 0.78 ESR2 (0.70) MAOAESR2MAOBKDM4EALDH1A1
SCHEMBL9747411 0.78 MAOA (0.65) MAOAESR2MAOBKDM4EALDH1A1
SCHEMBL26766942 0.76 ESR2 (0.66) ESR2KDM4EALDH1A1MAPTMEN1
SCHEMBL29853705 0.76 ESR2 (0.66) MAOAESR2MAOBKDM4EALDH1A1
SCHEMBL30629209 0.76 ESR2 (0.66) ESR2KDM4EALDH1A1MAPTMEN1
SCHEMBL26766945 0.76 ESR2 (0.66) MAOAESR2MAOBKDM4EALDH1A1
SCHEMBL11839158 0.75 ESR2 (0.65) MAOAESR2MAOBKDM4EALDH1A1
SCHEMBL9748258 0.74 ESR2 (0.55) MAOAESR2MAOBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024025953-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES VANDRIA SA (CH) 2024-02-01 WO disclosed
US-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 US disclosed
US-5104894-A Ellagic acid analogues UNIVERSITY OF GUELPH (CA) 1992-04-14 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-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM MAOA 699/4885ESR2 4060/4885MAOB 590/4885

“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.