SCHEMBL5017434

SCHEMBL5017434

CCOC(=O)C(=Cc1ccc(OCc2ccccc2)cc1C)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.52
HSP90AA1 P07900 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
NMT1 P30419 4/20 0.47
NMT2 O60551 1/20 0.47
PPARG P37231 2/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MAOB P27338 4/20 0.45
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL5017432 1.00 NR1H4 (0.58) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3372112 1.00 NR1H4 (0.58) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3369790 0.89 NR1H4 (0.57) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3369789 0.89 NR1H4 (0.57) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3369784 0.89 NR1H4 (0.57) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3370253 0.88 NR1H4 (0.56) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3368965 0.85 NR1H4 (0.47) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3368964 0.85 NR1H4 (0.47) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL3368967 0.85 NR1H4 (0.47) NR1H4ALDH1A1MEN1HSP90AA1KMT2A
SCHEMBL2804642 0.83 NR1H4 (0.79) NR1H4ALDH1A1MEN1HSP90AA1KMT2A

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 14 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
EP-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 EP 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-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
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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 (3 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
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG NR1H4 81/4885ALDH1A1 827/4885MEN1 4859/4885

“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.