SCHEMBL4517427

SCHEMBL4517427

CC(C)c1ccc(O)c(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
TTR P02766 2/20 0.44
RNASEH1 O60930 1/20 0.43
PTGS1 P23219 2/20 0.43
TRPA1 O75762 1/20 0.43
CACNA1C Q13936 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL2869294 0.86 TTR (0.56) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL20286611 0.81 LMNA (0.46) ALDH1A1HTTPTGS1TRPA1CACNA1C
SCHEMBL26866955 0.81 PTGS1 (0.39) ALDH1A1PTGS1NPSR1TSHR
SCHEMBL2736378 0.81 NTRK1 (0.43) TTRPTGS1TRPA1CACNA1CTSHR
SCHEMBL9497243 0.80 ALDH1A1 (0.53) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL15472268 0.79 TTR (0.55) ALDH1A1HTTTTRNPSR1
SCHEMBL22888655 0.79 DUT (0.43) PTGS1TSHR
SCHEMBL5992552 0.79 ALDH1A1 (0.50) ALDH1A1ALOX12HTTTTRNPSR1
SCHEMBL6061209 0.79 HPGD (0.46) ALDH1A1HTTTSHRTYR
SCHEMBL1568685 0.77 KDM4E (0.59) ALDH1A1GAAALOX12HTTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 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 (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-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD ALDH1A1 1232/4885GAA 1467/4885ALOX12 745/4885

“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.