SCHEMBL3370253

SCHEMBL3370253

CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1OCC)OCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NMT1 P30419 4/20 0.45
NMT2 O60551 1/20 0.45
MAOB P27338 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PSEN1 P49768 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL5017434 0.88 NR1H4 (0.58) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3372112 0.88 NR1H4 (0.58) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL5017432 0.88 NR1H4 (0.58) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL27506711 0.83 NR1H4 (0.53) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL3374613 0.81 KDM4E (0.47) NR1H4ALDH1A1MEN1KMT2ALMNA
SCHEMBL2804642 0.81 NR1H4 (0.79) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL2807676 0.81 NR1H4 (0.79) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL2804643 0.81 NR1H4 (0.79) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL5381353 0.80 NR1H4 (0.62) NR1H4ALDH1A1MEN1KMT2APPARG
SCHEMBL5381356 0.80 NR1H4 (0.62) NR1H4ALDH1A1MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
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
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 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
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 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 (2 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 NR1H4 4/4885ALDH1A1 2575/4885MEN1 3851/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR NR1H4 512/4885ALDH1A1 274/4885MEN1 623/4885

“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.