SCHEMBL4515853

SCHEMBL4515853

Cc1cc(O)cc(Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.40
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL4502469 0.89 SCN8A (0.42) HTR2ASLC6A4KCNH2L3MBTL1MAPT
SCHEMBL8749392 0.81 MRGPRX4 (0.49) HTR2ASLC6A4KCNH2RAB9AMRGPRX4
SCHEMBL11345830 0.80 ALDH1A1 (0.46) HTR2ASLC6A4KCNH2L3MBTL1MAPT
SCHEMBL29215231 0.78 LTA4H (0.54) MAPT
SCHEMBL4522930 0.77 L3MBTL1 (0.56) HTR2ASLC6A4KCNH2L3MBTL1MAPT
SCHEMBL18656165 0.77 L3MBTL1 (0.51) HTR2ASLC6A4KCNH2L3MBTL1MAPT
SCHEMBL4506950 0.76 PPARD (0.56) PPARGPPARDPPARA
SCHEMBL4520270 0.75 TTR (0.56) L3MBTL1MAPTNPSR1RAB9ASCN8A
SCHEMBL4509569 0.75 THRB (0.48) L3MBTL1MAPTNPSR1RAB9ASCN8A
SCHEMBL4506355 0.74 PPARD (0.67) 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 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 HTR2A 1036/4885SLC6A4 2021/4885KCNH2 2481/4885

“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.