SCHEMBL3720140

SCHEMBL3720140

COC(=O)c1cccc(-c2coc3cc(OCc4noc(-c5cc(F)cc(C(F)(F)F)c5)n4)ccc3c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.46
PPARA Q07869 10/20 0.46
PPARD Q03181 6/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SPHK2 Q9NRA0 1/20 0.40
ADORA2B P29275 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
ALDH2 P05091 3/20 0.39
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39

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
SCHEMBL2108543 0.93 MAPT (0.45) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL2106851 0.93 PPARG (0.47) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL2108697 0.86 PPARG (0.47) PPARGPPARAPPARDSPHK2ALDH2
SCHEMBL3666938 0.85 PPARG (0.40) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL2107639 0.85 ALDH2 (0.55) ALDH2MAOAMAOB
SCHEMBL2108380 0.85 PPARG (0.42) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL2106221 0.85 SPHK2 (0.46) PPARGPPARAPPARDSPHK2ALDH2
SCHEMBL4099655 0.84 L3MBTL1 (0.49) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL2107259 0.84 PPARG (0.44) PPARGPPARAPPARDMAPTALDH1A1
SCHEMBL2106970 0.84 PPARG (0.48) PPARGPPARAPPARDALDH2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARG 1635/4885PPARA 1031/4885PPARD 1526/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 PPARG 1853/4885PPARA 1249/4885PPARD 1775/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 PPARG 598/4885PPARA 865/4885PPARD 821/4885

“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.