SCHEMBL6444654

SCHEMBL6444654

COC(CC(C=O)C(C(N)=O)c1cccc2ccccc12)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
ACP3 P15309 2/20 0.35
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP10 Q53GL7 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL6447034 0.82 AOC3 (0.42) AOC3ALDH1A1L3MBTL1ALOX5CYP2C9
SCHEMBL6445346 0.78 UTS2R (0.42) AOC3ALDH1A1ALOX5CYP2C9CYP2C19
SCHEMBL1665813 0.75 ALDH1A1 (0.55) AOC3ALDH1A1ALOX5CYP2C9CYP2C19
SCHEMBL6451545 0.74 KIF11 (0.42) ALDH1A1CYP2C9CYP2C19ACP3HPGD
SCHEMBL7295452 0.73 ALDH1A1 (0.42) AOC3ALDH1A1ALOX5CYP2C9CYP2C19
SCHEMBL6444059 0.72 ALOX5 (0.40) ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2
SCHEMBL9504016 0.71 ALDH1A1 (0.48) AOC3ALDH1A1L3MBTL1ALOX5CYP2C9
SCHEMBL6243896 0.70 ALDH1A1 (0.53) AOC3ALDH1A1ALOX5CYP2C9CYP2C19
SCHEMBL6448997 0.69 L3MBTL1 (0.45) ALDH1A1L3MBTL1CYP2C19CYP1A2MEN1
SCHEMBL25368292 0.68 ALDH1A1 (0.44) ALDH1A1ALOX5CYP2C9CYP2C19CYP1A2

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 AOC3 1192/4885ALDH1A1 889/4885L3MBTL1 2093/4885

“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.