SCHEMBL5497011

SCHEMBL5497011

O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCBr)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 20/20 1.00
MAOA P21397 12/20 1.00
MAOB P27338 12/20 1.00

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
SCHEMBL5498133 0.92 ALDH2 (0.89) ALDH2MAOAMAOB
SCHEMBL4679869 0.91 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4684115 0.91 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL4686444 0.91 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL25225097 0.90 ALDH2 (0.82) ALDH2MAOAMAOB
SCHEMBL5492489 0.89 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL740753 0.89 ALDH2 (0.80) ALDH2MAOAMAOB
SCHEMBL1701152 0.89 ALDH2 (1.00) ALDH2MAOAMAOB
SCHEMBL25223427 0.89 ALDH2 (0.81) ALDH2MAOAMAOB
SCHEMBL4684681 0.88 ALDH2 (1.00) ALDH2MAOAMAOB

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-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE VALLEE BERT L 2007-11-22 US disclosed
EP-1077697-B1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ENDOWMENT FOR RES IN HUMAN BIO (US) 2006-07-19 EP disclosed
EP-1645272-A2 Daidzin derivatives for the treatment of alcohol dependence or alcohol abuse THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2006-04-12 EP disclosed
EP-1077697-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 2001-02-28 EP disclosed
US-6121010-A SCREENING FOR COMPOUNDS WHICH REDUCE ALCOHOL (ETHANOL) CONSUMPTION BY DETERMINING EFFECTIVENESS FOR INHIBITING ALDEHYDE DEHYDROGENASE ACTIVITY ON ALDEHYDES DERIVED FROM SUBSTRATES OF MONOAMINE OXIDASE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY (US) 2000-09-19 US disclosed
WO-1999058124-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-11-18 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 (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-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ADH1A, ADH5, ADH1C ALDH2 16/4885MAOA 53/4885MAOB 51/4885

“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.