SCHEMBL6446865

SCHEMBL6446865

CC(=O)CC([C]=O)Cc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MMP9 P14780 2/20 0.42
TACR1 P25103 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ACP3 P15309 1/20 0.41
MTNR1A P48039 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL6448366 0.87 TDP1 (0.54) CTNNB1TDP1MMP9MMEACE
SCHEMBL6448980 0.85 CTNNB1 (0.46) CTNNB1TDP1L3MBTL1MMP9MME
SCHEMBL6743982 0.84 CTNNB1 (0.51) CTNNB1TDP1MMP9ACP3MTNR1A
SCHEMBL7313406 0.82 KMT2A (0.48) CTNNB1TDP1L3MBTL1TACR1MME
SCHEMBL6446326 0.82 CTNNB1 (0.44) CTNNB1TDP1L3MBTL1MMP9MME
SCHEMBL7276360 0.82 MMP9 (0.45) CTNNB1MMP9TACR1MMEACE
SCHEMBL6444646 0.79 CTNNB1 (0.51) CTNNB1TDP1L3MBTL1MMP9TACR1
SCHEMBL6445520 0.78 CASP1 (0.47) CTNNB1TDP1L3MBTL1TACR1CYP1A2
SCHEMBL9666915 0.78 CYP2D6 (0.47) CTNNB1TDP1MMP9MMEACE
SCHEMBL6447891 0.78 TDP1 (0.48) CTNNB1TDP1L3MBTL1MMP9TACR1

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 17 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-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 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
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 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
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP 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 CTNNB1 1728/4885TDP1 758/4885L3MBTL1 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.