SCHEMBL6444725

SCHEMBL6444725

CC(=O)CC(=O)OC(C=O)Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TACR1 P25103 1/20 0.42
SIRT5 Q9NXA8 1/20 0.41
ATM Q13315 1/20 0.41
MMP9 P14780 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 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
SCHEMBL6622742 0.87 CTNNB1 (0.48) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL6444317 0.84 CTNNB1 (0.46) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL6443453 0.82 ATM (0.44) CTNNB1L3MBTL1TACR1ATMMMP9
SCHEMBL9665991 0.81 CTNNB1 (0.45) CTNNB1L3MBTL1TACR1ATMMMP9
SCHEMBL6444721 0.80 CTNNB1 (0.44) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL6446875 0.74 CTNNB1 (0.49) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL2270111 0.73 TACR1 (0.51) CTNNB1TACR1MMP9KMT2AMEN1
SCHEMBL2269291 0.73 TACR1 (0.51) CTNNB1TACR1MMP9KMT2AMEN1
SCHEMBL6618605 0.73 CTNNB1 (0.45) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL6447128 0.72 CTNNB1 (0.40) CTNNB1L3MBTL1TACR1MMP9TDP1

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 12 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-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 1728/4885L3MBTL1 2093/4885TACR1 551/4885

“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.