SCHEMBL26779869

SCHEMBL26779869

O=c1oc2c(O)cccc2c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.64
MAOA P21397 7/20 0.58
EGFR P00533 1/20 0.53
ATP1A1 P05023 2/20 0.51
ATP1B1 P05026 2/20 0.51
ATP1A3 P13637 2/20 0.51
ATP1B2 P14415 2/20 0.51
ATP1A2 P50993 2/20 0.51
ATP1B3 P54709 2/20 0.51
FXYD2 P54710 2/20 0.51
ATP1A4 Q13733 2/20 0.51
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL12359896 0.89 MAOA (0.69) ESR2MAOAEGFRATP1A1ATP1B1
SCHEMBL26779741 0.82 MAOA (0.61) ESR2MAOAEGFRATP1A1ATP1B1
SCHEMBL7987277 0.81 ESR2 (0.70) ESR2MAOAATP1A1ATP1B1ATP1A3
SCHEMBL8074166 0.81 ESR2 (0.60) ESR2MAOAEGFRNPSR1RXFP1
SCHEMBL5141096 0.80 ATP1A1 (0.59) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL30880452 0.80 ESR2 (0.57) ESR2MAOANPSR1RXFP1LMNA
SCHEMBL8492619 0.80 ATP1A1 (0.56) ESR2MAOAEGFRATP1A1ATP1B1
SCHEMBL10789961 0.78 ESR2 (0.53) ESR2MAOAEGFRATP1A1ATP1B1
SCHEMBL6825266 0.78 ESR2 (1.00) ESR2MAOA
SCHEMBL29853705 0.78 ESR2 (0.66) ESR2MAOANPSR1RXFP1LMNA

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
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

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 ESR2 4060/4885MAOA 699/4885EGFR 4873/4885

“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.