SCHEMBL4517880

SCHEMBL4517880

COc1cccc(C(F)(F)F)c1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.52
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
LTA4H P09960 1/20 0.41
MAOB P27338 1/20 0.40
NFE2L2 Q16236 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPBWR1 P48145 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
SCHEMBL29749364 0.82 AR (0.49) ARALDH1A1SMN1; SMN2TSHRMAOB
SCHEMBL10451316 0.82 AR (0.49) ARALDH1A1SMN1; SMN2TSHRMAOB
SCHEMBL11208196 0.82 MAPK1 (0.58) ARMAPK1ALDH1A1HTTL3MBTL1
SCHEMBL10902345 0.79 AR (0.50) ARALDH1A1TSHRLTA4HMAOB
SCHEMBL1676646 0.76 LTA4H (0.53) ARTSHRLTA4HMAOBKMT2A
SCHEMBL4516515 0.76 MAOB (0.40) ARALDH1A1TSHRLTA4HMAOB
SCHEMBL10451330 0.76 MAOB (0.40) ALDH1A1L3MBTL1TSHRLTA4HMAOB
SCHEMBL10368050 0.76 MAOB (0.40) ARTSHRLTA4HMAOBKMT2A
SCHEMBL30093322 0.76 CA1 (0.55) ARMAPK1ALDH1A1HTTL3MBTL1
SCHEMBL255270 0.76 CA1 (0.55) ARMAPK1ALDH1A1HTTL3MBTL1

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-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
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 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 AR 228/4885MAPK1 1749/4885ALDH1A1 1232/4885

“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.