SCHEMBL2107428

SCHEMBL2107428

CCOC(=O)COc1ccc(-c2coc3cc(OCC(=O)OCC)ccc3c2=O)cc1

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 12/20 0.90
MAPT P10636 4/20 0.88
GAA P10253 1/20 0.88
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
POLB P06746 1/20 0.72
ALDH1A1 P00352 3/20 0.69
MAOA P21397 4/20 0.68
MAOB P27338 4/20 0.68
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
XDH P47989 1/20 0.56
EGFR P00533 1/20 0.55

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
SCHEMBL10624579 0.96 ALDH2 (0.86) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL10624708 0.95 ALDH2 (1.00) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL10620446 0.94 ALDH2 (0.83) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL8983972 0.93 MAPT (1.00) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL4261437 0.89 MAPT (0.80) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL11551965 0.89 MEN1 (0.75) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL4095148 0.88 MAPT (0.87) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL4094445 0.84 ALDH2 (0.88) ALDH2MAPTGAAMEN1KMT2A
SCHEMBL11016377 0.84 ALDH2 (0.89) ALDH2MAPTGAAMAOAMAOB
SCHEMBL12238017 0.83 MAPT (0.74) ALDH2MAPTGAAMEN1KMT2A

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 11 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 disclosed
EP-2254878-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION Gilead Palo Alto, Inc. (US) 2010-12-01 EP disclosed
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP disclosed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US disclosed
WO-2009094028-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-07-30 WO disclosed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US disclosed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO disclosed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP disclosed
US-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-08-28 US disclosed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US disclosed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 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 (4 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-20080207610-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885MAPT 1815/4885GAA 1106/4885
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 5/4885MAPT 1815/4885GAA 1106/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ALDH2 4/4885MAPT 1778/4885GAA 937/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ALDH2 1/4885MAPT 2549/4885GAA 352/4885

“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.