SCHEMBL4463447

SCHEMBL4463447

CCCC(=O)C(C)(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.46
ALDH1A1 P00352 2/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FFAR3 O14843 3/20 0.35
TSHR P16473 3/20 0.35
CTSD P07339 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ELANE P08246 1/20 0.32
FAAH O00519 3/20 0.31

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
SCHEMBL3646518 0.87 DGAT1 (0.43) DGAT1ALDH1A1CES2CES1PRSS1
SCHEMBL16671511 0.84 FAAH (0.52) ALDH1A1CES2CES1TSHRFAAH
SCHEMBL4463173 0.81 DGAT1 (0.50) DGAT1ALDH1A1FFAR3TSHRCA1
SCHEMBL5217213 0.80 DGAT1 (0.45) DGAT1TSHRELANE
SCHEMBL18799245 0.80 CYP4F2 (0.40) ALDH1A1CES2CES1TSHRLMNA
SCHEMBL28366251 0.80 ALDH1A1 (0.36) DGAT1ALDH1A1CES2CES1HDAC3
SCHEMBL6262627 0.77 ALDH1A1 (0.33) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL27553075 0.77 LMNA (0.41) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL3576946 0.74 DGAT1 (0.48) DGAT1ALDH1A1TSHRELANE
SCHEMBL2313446 0.74 DGAT1 (0.48) DGAT1TSHRELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106029640-A Pyrazolone compounds and uses thereof 因森普深2公司 2016-10-12 CN disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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 (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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG DGAT1 394/4885ALDH1A1 1181/4885CES2 1535/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD DGAT1 417/4885ALDH1A1 1311/4885CES2 533/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD DGAT1 264/4885ALDH1A1 1182/4885CES2 1214/4885

“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.