SCHEMBL6444317

SCHEMBL6444317

[CH2]C(Cc1cccc2ccccc12)OC(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TACR1 P25103 1/20 0.44
SIRT5 Q9NXA8 1/20 0.43
ATM Q13315 1/20 0.43
MMP9 P14780 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 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
MTNR1A P48039 1/20 0.41
CYP1A2 P05177 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
SCHEMBL6444725 0.84 CTNNB1 (0.44) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL6444721 0.82 CTNNB1 (0.44) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL6445179 0.81 ATM (0.46) CTNNB1L3MBTL1ATMMMP9TDP1
SCHEMBL6444646 0.76 CTNNB1 (0.51) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL29253169 0.73 CTNNB1 (0.51) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL22474254 0.72 CTNNB1 (0.48) CTNNB1L3MBTL1SIRT5ATMMMP9
SCHEMBL6622742 0.72 CTNNB1 (0.48) CTNNB1L3MBTL1TACR1SIRT5ATM
SCHEMBL28117638 0.72 ALDH1A1 (0.61) L3MBTL1MEN1KMT2ATDP1KDM4E
SCHEMBL9848708 0.71 CTNNB1 (0.60) CTNNB1L3MBTL1TACR1ATMMMP9
SCHEMBL9666892 0.70 CTNNB1 (0.52) CTNNB1L3MBTL1TACR1SIRT5ATM

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 6 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

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.