SCHEMBL5134430

SCHEMBL5134430

CCCc1c(O)cccc1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 4/20 0.37
HTR1A P08908 1/20 0.37
KAT8 Q9H7Z6 3/20 0.36
EP300 Q09472 2/20 0.36
KAT2B Q92831 2/20 0.36
APP P05067 2/20 0.36
BID P55957 3/20 0.36
HTR2A P28223 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT5 Q92993 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
ESR1 P03372 1/20 0.35
JUN P05412 1/20 0.35

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
SCHEMBL14684825 0.86 GAA (0.44) GAAMAPTKDM4EMCL1ALDH1A1
SCHEMBL129735 0.84 MAPT (0.40) GAAMAPTKDM4EMCL1KAT8
SCHEMBL69199 0.81 HPGD (0.41) GAAMAPTKDM4EMCL1HTR1A
SCHEMBL27474264 0.80 MAPT (0.40) GAAMAPTKDM4EMCL1KAT8
SCHEMBL27341878 0.79 SIGMAR1 (0.47) MCL1BIDBCL2L1BAK1
SCHEMBL27523521 0.79 MGLL (0.44) MCL1HTR1AKAT8EP300KAT2B
SCHEMBL28183541 0.78 GAA (0.39) GAAMAPTKDM4EHTR1AALDH1A1
SCHEMBL28184388 0.77 GAA (0.38) GAAMAPTKDM4EHTR1AALDH1A1
SCHEMBL27340483 0.76 IGF1R (0.39) KDM4EKAT8EP300HTR2AKAT5
SCHEMBL1760417 0.76 CNR1 (0.50) GAAMAPTKDM4EHTR1AALDH1A1

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
US-20130035347-A1 AROMATIC BYCYCLIC DERIVATIVES AS CXCR4 RECEPTOR MODULATORS ALLERGAN, INC. 2013-02-07 US disclosed
US-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES SALUTRIA PHARMACEUTICALS LLC 2012-11-22 US disclosed
US-8252840-B2 administering monoesters of probucol, such as AGI-1067, succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2012-08-28 US disclosed
US-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes CRABTREE ACQUISITION CO, LLC 2008-11-13 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 (3 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-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes PNLIP, SLC5A2, LIPC GAA 790/4885MAPT 1773/4885KDM4E 3846/4885
US-20130035347-A1 AROMATIC BYCYCLIC DERIVATIVES AS CXCR4 RECEPTOR MODULATORS CXCR4, CCR5, CXCL12 GAA 3505/4885MAPT 3254/4885KDM4E 3230/4885
US-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES PNLIP, SLC5A2, LIPC GAA 790/4885MAPT 1773/4885KDM4E 3846/4885

“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.