SCHEMBL4522930

SCHEMBL4522930

COc1cc(C(F)(F)F)ccc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TTR P02766 3/20 0.54
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
NTRK1 P04629 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
NTRK2 Q16620 1/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 2/20 0.43
KCNH2 Q12809 2/20 0.43
AR P10275 1/20 0.43

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
SCHEMBL15472490 0.85 TTR (0.55) L3MBTL1MAPTNPSR1TTRMAPK1
SCHEMBL18656165 0.83 L3MBTL1 (0.51) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL10451549 0.82 MEN1 (0.53) L3MBTL1RAB9AMAPTNPSR1MAPK1
SCHEMBL19563690 0.80 L3MBTL1 (0.56) L3MBTL1RAB9AMAPTNPSR1MAPK1
SCHEMBL9003844 0.78 FFAR1 (0.60) L3MBTL1RAB9AMAPTNPSR1TTR
SCHEMBL22888750 0.78 ALDH1A1 (0.50) L3MBTL1RAB9AMAPTNPSR1TTR
SCHEMBL4509569 0.78 THRB (0.48) L3MBTL1RAB9AMAPTNPSR1TTR
SCHEMBL4520270 0.78 TTR (0.56) L3MBTL1RAB9AMAPTNPSR1TTR
SCHEMBL11385841 0.78 L3MBTL1 (0.71) L3MBTL1RAB9AMAPTNPSR1ALDH1A1
Water SCHEMBL11415635 0.78 L3MBTL1 (0.47) L3MBTL1RAB9AMAPTNPSR1LMNA

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 L3MBTL1 3641/4885RAB9A 4160/4885MAPT 1648/4885

“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.