SCHEMBL4516754

SCHEMBL4516754

Cc1cc(Oc2ccc(CC(=O)O)cc2)cc(Oc2ccc(Cl)cc2Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.50
FFAR1 O14842 4/20 0.47
FFAR4 Q5NUL3 1/20 0.47
EPHX2 P34913 2/20 0.46
LTA4H P09960 1/20 0.46
NR3C1 P04150 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
PTGDR Q13258 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM1 P11229 1/20 0.43
CPT1A P50416 1/20 0.42
CPT1B Q92523 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
SCHEMBL4522014 0.91 FFAR1 (0.50) SRD5A2FFAR1FFAR4NR3C1PTGDR2
SCHEMBL4525574 0.91 PTGDR2 (0.56) SRD5A2FFAR1FFAR4PTGDR2PPARG
SCHEMBL13678675 0.89 SRD5A2 (0.53) SRD5A2FFAR1FFAR4EPHX2NR3C1
SCHEMBL4516303 0.82 FFAR1 (0.59) FFAR1FFAR4NR3C1PTGDR2PPARG
SCHEMBL4525120 0.81 PPARG (0.65) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL4528795 0.80 PPARG (0.64) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL4518589 0.80 PPARG (0.44) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL4494807 0.78 CPT1A (0.47) SRD5A2FFAR1PTGDR2PTGDRCPT1A
SCHEMBL9036833 0.77 FFAR1 (0.74) FFAR1NR3C1PTGDR2PTGDRCHRM1
SCHEMBL5990052 0.76 PPARG (0.68) PPARGPPARDPPARA

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 SRD5A2 164/4885FFAR1 22/4885FFAR4 19/4885

“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.