SCHEMBL4090857

SCHEMBL4090857

O=c1c(-c2ccc(B(O)O)cc2)coc2cc(OCCc3nc(-c4ccc(C(F)(F)F)cc4F)no3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 20/20 0.45
MAOA P21397 12/20 0.45
MAOB P27338 12/20 0.45

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
SCHEMBL4102402 0.86 ALDH2 (0.43) ALDH2MAOAMAOB
SCHEMBL2107674 0.80 ALDH2 (0.56) ALDH2MAOAMAOB
SCHEMBL4094968 0.74 ALDH2 (0.55) ALDH2MAOAMAOB
SCHEMBL2107502 0.73 MAPT (0.45) ALDH2MAOAMAOB
SCHEMBL4096021 0.73 FFAR1 (0.57) ALDH2MAOAMAOB
SCHEMBL2108695 0.73 FFAR1 (0.55) ALDH2MAOAMAOB
SCHEMBL4095131 0.72 ALDH2 (0.49) ALDH2MAOAMAOB
SCHEMBL4101481 0.71 ALDH2 (0.59) ALDH2MAOAMAOB
SCHEMBL2107513 0.70 ALDH2 (0.56) ALDH2MAOAMAOB
SCHEMBL2107217 0.69 ALDH2 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.