SCHEMBL4514546

SCHEMBL4514546

CCOC(=O)C=Cc1ccc(F)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.57
TTR P02766 1/20 0.49
DPP4 P27487 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
CYP3A4 P08684 2/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.45
TSHR P16473 1/20 0.45
FDPS P14324 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL4514544 1.00 ESR1 (0.57) ESR1TTRDPP4CA12CA1
SCHEMBL13678677 1.00 ESR1 (0.57) ESR1TTRDPP4CA12CA1
SCHEMBL30235603 1.00 ESR1 (0.57) ESR1TTRDPP4CA12CA1
SCHEMBL8375820 0.88 POLB (0.56) ESR1TTRDPP4CA12CA1
SCHEMBL8375818 0.88 POLB (0.56) ESR1TTRDPP4CA12CA1
SCHEMBL4519172 0.87 POLB (0.48) ESR1TTRDPP4CA12CA1
SCHEMBL4519170 0.87 POLB (0.48) ESR1TTRDPP4CA12CA1
SCHEMBL2325697 0.86 CYP3A4 (0.51) ESR1TTRDPP4CA12CA1
SCHEMBL31390627 0.86 CYP3A4 (0.51) ESR1TTRDPP4CA12CA1
SCHEMBL2325706 0.86 CYP3A4 (0.51) ESR1TTRDPP4CA12CA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135816-A Method for synthesizing photoactive bromohydrin compound 常州大学 2021-07-20 CN 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
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 ESR1 2728/4885TTR 1257/4885DPP4 326/4885

“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.