SCHEMBL2107761

SCHEMBL2107761

C[Si](C)(C)CCOC(=O)c1cccc(COc2ccc3c(=O)c(-c4ccc(C(N)=O)cc4)coc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 18/20 0.48
MAOA P21397 8/20 0.48
MAOB P27338 8/20 0.48
TERT O14746 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 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
SCHEMBL2107551 0.92 ALDH2 (0.52) ALDH2MAOAMAOBTERTGAA
SCHEMBL2107549 0.86 ALDH2 (0.52) ALDH2MAOAMAOBTERTGAA
SCHEMBL2107835 0.85 ALDH2 (0.56) ALDH2MAOAMAOBMAPT
SCHEMBL2107745 0.85 MAOB (0.46) ALDH2MAOAMAOBTERTGAA
SCHEMBL2108855 0.84 ALDH2 (0.53) ALDH2MAOAMAOBTERTGAA
SCHEMBL2109686 0.84 ALDH2 (0.62) ALDH2MAOAMAOB
SCHEMBL2108168 0.84 ALDH2 (0.64) ALDH2MAOAMAOB
SCHEMBL2108937 0.83 MAPT (0.44) ALDH2MAOAMAOBTERTGAA
SCHEMBL2108844 0.83 ALDH2 (0.54) ALDH2MAOAMAOBTERTMAPT
SCHEMBL2106313 0.81 MAPT (0.55) ALDH2MAOAMAOBTERTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158810-B2 ALDH-2 inhibitors in the treatment of addiction GILEAD SCIENCES, INC. (US) 2012-04-17 US claimed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US claimed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US claimed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed

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-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885MAOA 62/4885MAOB 47/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 4/4885MAOA 62/4885MAOB 45/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ALDH2 1/4885MAOA 59/4885MAOB 30/4885

“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.