SCHEMBL4516434

SCHEMBL4516434

COC(=O)CCc1ccc(Oc2cccc(Br)c2C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.45
PPARD Q03181 10/20 0.45
PPARA Q07869 10/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL4515886 0.91 PPARG (0.44) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL5699027 0.84 PPARG (0.55) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL30657399 0.83 VDR (0.43) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL26635695 0.83 VDR (0.43) PPARGPPARDPPARAFFAR1FFAR4
SCHEMBL4502925 0.82 PPARG (0.49) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL26619328 0.81 PPARG (0.40) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL30670020 0.81 PPARG (0.40) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL4512504 0.80 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL4503410 0.80 PPARG (0.45) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL4615204 0.80 HTR2A (0.45) PPARGPPARDPPARAMEN1KMT2A

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-7608639-B2 Phenoxyether derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-27 US disclosed
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-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-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 PPARG 2/4885PPARD 3/4885PPARA 1/4885

“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.