SCHEMBL2108065

SCHEMBL2108065

COc1ccc(-c2coc3cc(OCC(=O)c4ccc(F)cc4)ccc3c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.59
ALDH2 P05091 4/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 2/20 0.58
XDH P47989 1/20 0.58
BCL2 P10415 1/20 0.58

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
SCHEMBL2107633 0.91 ALDH2 (0.72) ALDH1A1ALDH2NPC1RAB9AMAOA
SCHEMBL22340136 0.84 XDH (0.76) MAPTALDH1A1ALDH2MEN1KMT2A
SCHEMBL2109342 0.80 ALDH2 (0.68) ALDH2MAOAMAOB
SCHEMBL2107732 0.80 ALDH2 (0.68) ALDH2MAOAMAOB
SCHEMBL14070597 0.79 ALDH2 (0.80) MAPTALDH1A1ALDH2MEN1KMT2A
SCHEMBL30527918 0.79 ALDH2 (0.80) MAPTALDH1A1ALDH2MEN1KMT2A
SCHEMBL571576 0.79 XDH (0.84) MAPTALDH1A1ALDH2MEN1KMT2A
SCHEMBL4095148 0.79 MAPT (0.87) MAPTALDH1A1ALDH2MEN1KMT2A
SCHEMBL21801204 0.78 XDH (0.75) MAPTALDH1A1ALDH2MEN1KMT2A
SCHEMBL30744103 0.78 XDH (0.75) MAPTALDH1A1ALDH2MEN1KMT2A

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 8 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
EP-2231149-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV Therapeutics Inc. (US) 2010-09-29 EP claimed
US-20090209533-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION AMYGDALA NEUROSCIENCES, INC. 2009-08-20 US claimed
WO-2009061924-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS CV THERAPEUTICS, INC. (US) 2009-05-14 WO claimed
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS AMYGDALA NEUROSCIENCES, INC. 2009-05-14 US claimed
EP-2046769-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2009-04-15 EP claimed
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION AMYGDALA NEUROSCIENCES, INC. 2008-02-07 US claimed
WO-2008014497-A2 ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION CV THERAPEUTICS, INC. (US) 2008-01-31 WO 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 MAPT 1815/4885ALDH1A1 1/4885ALDH2 5/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 MAPT 1778/4885ALDH1A1 1/4885ALDH2 4/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 MAPT 2549/4885ALDH1A1 3/4885ALDH2 1/4885

“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.