SCHEMBL31258561

SCHEMBL31258561

O=c1c2cccc(O)c2oc2c(O)c(O)c(O)c(O)c12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.65
EGFR P00533 1/20 0.65
ATP1A1 P05023 3/20 0.63
ATP1B1 P05026 3/20 0.63
ATP1A3 P13637 3/20 0.63
ATP1B2 P14415 3/20 0.63
ATP1A2 P50993 3/20 0.63
ATP1B3 P54709 3/20 0.63
FXYD2 P54710 3/20 0.63
ATP1A4 Q13733 3/20 0.63
NUDT1 P36639 2/20 0.56
RELA Q04206 1/20 0.56
PTPN1 P18031 1/20 0.54
ACHE P22303 1/20 0.50
MAOB P27338 1/20 0.50
KDM5A P29375 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
SCHEMBL7237614 1.00 MAOA (0.65) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL7228336 0.83 ATP1A1 (0.79) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL8958340 0.82 MAOA (0.74) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL7238197 0.81 ATP1A1 (0.72) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL30738503 0.79 MAOA (1.00) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL15527312 0.79 MAOA (1.00) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL151934 0.77 ATP1A1 (1.00) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL1444670 0.77 KDM5A (0.65) MAOAEGFRKDM5A
SCHEMBL5141096 0.74 ATP1A1 (0.59) MAOAEGFRATP1A1ATP1B1ATP1A3
SCHEMBL29754913 0.74 MAOA (0.67) MAOAEGFRATP1A1ATP1B1ATP1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240389587-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (INRAE) (FR) 2024-11-28 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-20240389587-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PHYTOPATHOGENIC INFECTIONS XBP1, ERN1, ERN2 MAOA 3977/4885EGFR 3891/4885ATP1A1 3368/4885

“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.