SCHEMBL4091603

SCHEMBL4091603

Cc1ccc(-c2coc3cc(OCc4noc(-c5cccc(C(F)(F)F)c5)n4)ccc3c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 4/20 0.47
MAPK1 P28482 1/20 0.47
ALDH2 P05091 7/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
GAA P10253 1/20 0.44
TERT O14746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
PPARD Q03181 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2107503 0.93 ALDH2 (0.54) ADORA2BL3MBTL1POLBALDH2MAOA
SCHEMBL2107891 0.92 ADORA2B (0.49) ADORA2BL3MBTL1POLBMAPTMAPK1
SCHEMBL4095730 0.90 ADORA2B (0.49) ADORA2BL3MBTL1POLBMAPTMAPK1
SCHEMBL4099655 0.89 L3MBTL1 (0.49) ADORA2BL3MBTL1POLBMAPTMAPK1
SCHEMBL2106845 0.89 KIF11 (0.47) ADORA2BL3MBTL1POLBMAPTMAPK1
SCHEMBL2108763 0.89 ADORA2B (0.47) ADORA2BL3MBTL1POLBMAPTMAPK1
SCHEMBL2107211 0.85 ALDH2 (0.56) ALDH2MAOAMAOBPPARGPPARA
SCHEMBL2108080 0.84 ALDH2 (0.57) ALDH2MAOAMAOB
SCHEMBL2107639 0.82 ALDH2 (0.55) ALDH2MAOAMAOB
SCHEMBL2108890 0.82 NPC1 (0.40) MAPTALDH2MAOAMAOBTERT

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 ADORA2B 2494/4885L3MBTL1 2793/4885POLB 2083/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 ADORA2B 2559/4885L3MBTL1 2779/4885POLB 2249/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 ADORA2B 489/4885L3MBTL1 3461/4885POLB 2223/4885

“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.