SCHEMBL6444672

SCHEMBL6444672

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
MMP9 P14780 3/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
VNN1 O95497 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40
ACP3 P15309 1/20 0.40
CYP1A2 P05177 1/20 0.39
ATM Q13315 1/20 0.39
MMP8 P22894 2/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL6444646 0.84 CTNNB1 (0.51) CTNNB1TDP1MMP9L3MBTL1MME
SCHEMBL6443644 0.82 TDP1 (0.57) CTNNB1TDP1MMP9MMEACE
SCHEMBL7297927 0.82 CTNNB1 (0.50) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL10389860 0.82 CTNNB1 (0.50) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL9665093 0.82 CTNNB1 (0.50) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL10390355 0.82 CTNNB1 (0.47) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL6448980 0.81 CTNNB1 (0.46) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL7303541 0.81 CTNNB1 (0.46) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL6446064 0.79 CTNNB1 (0.50) CTNNB1TDP1MMP9CTSSCTSK
SCHEMBL6444377 0.78 CTNNB1 (0.46) CTNNB1TDP1MMP9L3MBTL1MME

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 1728/4885TDP1 758/4885MMP9 26/4885

“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.