SCHEMBL4099655

SCHEMBL4099655

O=c1c(-c2cccc(F)c2)coc2cc(OCc3noc(-c4cccc(C(F)(F)F)c4)n3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
ADORA2B P29275 1/20 0.48
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
PPARD Q03181 3/20 0.46
ALDH2 P05091 9/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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 0.90 ALDH2 (0.54) L3MBTL1POLBADORA2BALDH2MAOA
SCHEMBL2107891 0.89 ADORA2B (0.49) L3MBTL1POLBMAPTMAPK1ADORA2B
SCHEMBL4091603 0.89 ADORA2B (0.51) L3MBTL1POLBMAPTMAPK1ADORA2B
SCHEMBL2108533 0.87 ALDH2 (0.59) ALDH2MAOAMAOB
SCHEMBL4095730 0.87 ADORA2B (0.49) L3MBTL1POLBMAPTMAPK1ADORA2B
SCHEMBL2106845 0.87 KIF11 (0.47) L3MBTL1POLBMAPTMAPK1ADORA2B
SCHEMBL2108380 0.86 PPARG (0.42) L3MBTL1POLBMAPTMAPK1ADORA2B
SCHEMBL2106851 0.86 PPARG (0.47) L3MBTL1POLBMAPTADORA2BPPARG
SCHEMBL2108543 0.85 MAPT (0.45) L3MBTL1POLBMAPTADORA2BPPARG
SCHEMBL2108763 0.85 ADORA2B (0.47) L3MBTL1POLBMAPTMAPK1ADORA2B

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 L3MBTL1 2793/4885POLB 2083/4885MAPT 1815/4885
US-20080032995-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF DRUG ADDICTION ALDH1A1, ADH1A, ALDH3A1 L3MBTL1 2779/4885POLB 2249/4885MAPT 1778/4885
US-20090124672-A1 ALDH-2 INHIBITORS IN THE TREATMENT OF PSYCHIATRIC DISORDERS ALDH2, ALDH1A2, ALDH1A1 L3MBTL1 3461/4885POLB 2223/4885MAPT 2549/4885

“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.