SCHEMBL3987534

SCHEMBL3987534

CCOC(=O)C(C)(Cc1ccc(O)cc1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.49
ESR2 Q92731 5/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
BLM P54132 1/20 0.45
MMP8 P22894 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.40
TSHR P16473 3/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL5991629 0.88 ESR1 (0.49) ESR1ESR2CA12CA1CA2
SCHEMBL5109513 0.83 OPRK1 (0.53) ESR1ESR2CA12CA1CA2
SCHEMBL5123296 0.83 OPRK1 (0.53) ESR1ESR2CA12CA1CA2
SCHEMBL8486868 0.82 ESR1 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL5110571 0.81 OPRK1 (0.54) ESR1ESR2CA12CA1CA2
SCHEMBL5118505 0.81 OPRK1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL2804981 0.81 OPRK1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL5116975 0.81 OPRK1 (0.51) ESR1ESR2CA12CA1CA2
SCHEMBL5110581 0.81 OPRK1 (0.54) ESR1ESR2CA12CA1CA2
SCHEMBL5122494 0.81 MMP8 (0.43) ESR1ESR2CA12CA1CA2

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-7544812-B2 For example, 2-(4-{2-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-ethoxy}-2-methyl-phenoxy)-2-methyl-propionic acid, 2-(4-{3-[1-(4-tert-Butyl-benzyl)-3-methyl-2-oxo-imidazolidin-4-yl]-propyl}-2-methyl-phenoky)-2-methyl-propionic acid; for treating diabetes mellitus ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20050020652-A1 Peroxisome proliferator activated receptor agonists ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1453811-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2004-09-08 EP disclosed
WO-2003048130-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-06-12 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-20050020652-A1 Peroxisome proliferator activated receptor agonists PPARA, PPARD, PPARG ESR1 440/4885ESR2 322/4885CA12 3697/4885

“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.