SCHEMBL3533617

SCHEMBL3533617

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.50
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 4/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
TAAR1 Q96RJ0 3/20 0.42
SLC6A2 P23975 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
SCHEMBL3533612 1.00 PPARA (0.50) PPARAESR1ESR2PPARGPPARD
SCHEMBL6419166 0.86 PPARA (0.54) PPARAESR1ESR2PPARGPPARD
SCHEMBL977513 0.86 PPARA (0.54) PPARAESR1ESR2PPARGPPARD
SCHEMBL977514 0.86 PPARA (0.54) PPARAESR1ESR2PPARGPPARD
SCHEMBL6736319 0.85 ESR1 (0.46) PPARAESR1ESR2CA12CA1
SCHEMBL3535227 0.84 ESR1 (0.58) PPARAESR1ESR2PPARGPPARD
SCHEMBL3535230 0.84 ESR1 (0.58) PPARAESR1ESR2PPARGPPARD
SCHEMBL6737977 0.84 ESR1 (0.44) PPARAESR1ESR2CA12CA1
SCHEMBL14501971 0.82 PPARA (0.50) PPARAESR1ESR2PPARGPPARD
SCHEMBL27581576 0.82 PPARA (0.70) PPARAPPARGPPARD

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
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2003024944-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BICYCLIC ANTIDIABETIC COMPOUNDS DR. REDDY'S LABORATORIES LTD. (IN) 2003-03-27 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD PPARA 2/4885ESR1 1589/4885ESR2 491/4885

“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.