SCHEMBL5024486

SCHEMBL5024486

CCOC(=O)C(Cc1ccc(OCc2coc(-c3cccc(OC)c3)n2)cc1C)OCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.44
FFAR1 O14842 3/20 0.43
VDR P11473 4/20 0.43
PPARG P37231 8/20 0.42
PPARD Q03181 3/20 0.41
ESR1 P03372 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
RXRA P19793 1/20 0.40
ESR2 Q92731 1/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL5017295 0.93 PPARA (0.46) PPARAFFAR1VDRPPARGPPARD
SCHEMBL5017299 0.93 PPARA (0.46) PPARAFFAR1VDRPPARGPPARD
SCHEMBL5024780 0.87 PPARA (0.48) PPARAFFAR1PPARGPPARD
SCHEMBL5024784 0.87 PPARA (0.48) PPARAFFAR1PPARGPPARD
SCHEMBL5072156 0.86 PPARA (0.45) PPARAFFAR1VDRPPARGPPARD
SCHEMBL5072161 0.86 PPARA (0.45) PPARAFFAR1VDRPPARGPPARD
SCHEMBL5018058 0.84 PPARG (0.52) PPARAFFAR1PPARGPPARD
SCHEMBL5018056 0.84 PPARG (0.52) PPARAFFAR1PPARGPPARD
SCHEMBL5022346 0.82 PPARA (0.38) PPARAFFAR1PPARGPPARD
SCHEMBL3372506 0.80 PPARD (0.49) PPARAFFAR1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7348349-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-25 US disclosed
US-20050267180-A1 Novel oxazole derivatives BINGGELI ALFRED 2005-12-01 US disclosed
US-6969725-B2 Oxazole derivatives HOFFMAN-LA ROCHE INC. (US) 2005-11-29 US disclosed
EP-1551814-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-13 EP disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 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-20050267180-A1 Novel oxazole derivatives NR1H3, NR1H2, PPARD PPARA 6/4885FFAR1 33/4885VDR 94/4885

“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.