SCHEMBL4893909

SCHEMBL4893909

COC(=O)CCc1ccc(O)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
ALOX5 P09917 1/20 0.41
OR51E2 Q9H255 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
APP P05067 1/20 0.40
EGFR P00533 2/20 0.40
KDM4A O75164 1/20 0.39
NQO2 P16083 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
HPN P05981 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NAMPT P43490 1/20 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
SCHEMBL2986153 0.88 ALDH1A1 (0.51) HDAC1EGFRKDM4AL3MBTL1HPN
SCHEMBL8130509 0.83 L3MBTL1 (0.50) HDAC1CA1CA2KDM4AL3MBTL1
SCHEMBL2987885 0.81 HDAC1 (0.51) HDAC1CA1CA2EGFRKDM4A
SCHEMBL6781372 0.81 GLS (0.53) KDM4ANAMPT
SCHEMBL4891941 0.80 FFAR4 (0.47) HDAC1APPPPARDPPARA
SCHEMBL8651923 0.80 CA1 (0.42) HDAC1CA1CA2KDM4AL3MBTL1
SCHEMBL30185953 0.79 CA1 (0.48) ALOX5OR51E2CA1CA2APP
SCHEMBL19088332 0.79 CA1 (0.48) ALOX5OR51E2CA1CA2APP
SCHEMBL4898444 0.79 NQO2 (0.47) EGFRKDM4ANQO2
SCHEMBL16048663 0.79 BACE1 (0.58) ALOX5OR51E2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO 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 (2 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD HDAC1 604/4885ALOX5 758/4885OR51E2 3572/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD HDAC1 604/4885ALOX5 758/4885OR51E2 3572/4885

“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.