SCHEMBL5336630

SCHEMBL5336630

CC(C)(C)Cc1ccccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
RIPK1 Q13546 2/20 0.48
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
KMT2A Q03164 1/20 0.46
SLC6A2 P23975 1/20 0.41
TACR1 P25103 3/20 0.41
HTR7 P34969 3/20 0.40
FOLH1 Q04609 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL18014704 0.84 CYP2C19 (0.44) DPP4RIPK1SLC6A2HTR7ALDH1A1
SCHEMBL22548896 0.84 KCNA5 (0.46) DPP4RIPK1PDCD1CD274CYP11B1
SCHEMBL13872997 0.84 PTGS2 (0.43) DPP4RIPK1HTR7KCNA5KCNH2
SCHEMBL11060021 0.83 DPP4 (0.55) DPP4PDCD1CD274KMT2ASLC6A2
SCHEMBL18014699 0.81 KIF11 (0.47) RIPK1SLC6A2TACR1HTR7ALDH1A1
SCHEMBL22548828 0.80 KCNA5 (0.55) CYP11B1CYP11B2KCNA5KCNH2ALDH1A1
SCHEMBL12775791 0.79 ATM (0.41) DPP4RIPK1CYP11B1CYP11B2KCNA5
SCHEMBL23057561 0.79 DPP4 (0.41) DPP4RIPK1KMT2ASLC6A2CYP11B1
SCHEMBL6685097 0.78 RIPK1 (0.56) RIPK1SLC6A2
SCHEMBL7450703 0.77 KMT2A (0.50) DPP4PDCD1CD274KMT2AFOLH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102361837-B Process for producing conjugated aromatic compound SUMITOMO CHEMICAL CO 2014-07-02 CN disclosed
CN-102361837-A Process for producing conjugated aromatic compound SUMITOMO CHEMICAL CO 2012-02-22 CN disclosed
US-7223774-B2 Administering enzyme inhibitors of beta secretase, an enzyme responsible for the production of amyloid beta peptide by mediating the cleavage of amyloid precursor proteins; Alzheimer's disease; cognition activators; Down's syndrome; neurodegenerative diseases; other dementias of mixed origins ELAN PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050032848-A1 Administering enzyme inhibitors of beta secretase, an enzyme responsible for the production of amyloid beta peptide by mediating the cleavage of amyloid precursor proteins; Alzheimer's disease; cognition activators; Down's syndrome; neurodegenerative diseases; other dementias of mixed origins ELAN PHARMACEUTICALS, INC. 2005-02-10 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-20050032848-A1 Administering enzyme inhibitors of beta secretase, an enzyme responsible for the production of amyloid beta peptide by mediating the cleavage of amyloid precursor proteins; Alzheimer's disease; cognition activators; Down's syndrome; neurodegenerative diseases; other dementias of mixed origins BACE1, BACE2, APP DPP4 333/4885RIPK1 2458/4885PDCD1 4284/4885

“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.