SCHEMBL4509569

SCHEMBL4509569

Oc1ccc(C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
THRA P10827 1/20 0.48
SCN8A Q9UQD0 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
TTR P02766 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL4520270 0.86 TTR (0.56) SCN8ASCN10ATTRL3MBTL1MAPT
SCHEMBL5990596 0.85 SCN8A (0.47) THRBTHRASCN8ASCN10AL3MBTL1
SCHEMBL6054896 0.83 HTR2A (0.56) THRBTHRASCN8ASCN10AL3MBTL1
SCHEMBL10708734 0.83 ALDH1A1 (0.50) THRBTHRATTRMAPTRAB9A
SCHEMBL18656165 0.81 L3MBTL1 (0.51) SCN8ASCN10AL3MBTL1MAPTNPSR1
SCHEMBL5989702 0.80 SCN8A (0.50) SCN8ASCN10AMAPTNPSR1RAB9A
SCHEMBL5992566 0.80 KDM4E (0.44) SCN8ASCN10A
SCHEMBL4615647 0.79 KDM4E (0.61) SCN8ASCN10ATTRMAPK14RXFP1
SCHEMBL5375024 0.79 AR (0.54) THRBL3MBTL1MAPTNPSR1RAB9A
SCHEMBL8941708 0.78 AR (0.54) THRBTHRAL3MBTL1MAPTNPSR1

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 8 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
US-5922117-A Ink compositions containing alcohols XEROX CORPORATION (US) 1999-07-13 US 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 THRB 1317/4885THRA 1279/4885SCN8A 3589/4885

“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.