SCHEMBL5022181

SCHEMBL5022181

CCOC(=O)/C(=C\c1ccc(OCc2nc(-c3ccccc3C)oc2C)cc1C)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.43
PPARA Q07869 6/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
FFAR1 O14842 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 2/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 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
SCHEMBL5022182 1.00 PPARG (0.43) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL5022178 1.00 PPARG (0.43) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL5017741 0.93 PPARG (0.45) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL5017743 0.93 PPARG (0.45) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL5017744 0.93 PPARG (0.45) PPARGPPARAALDH1A1TSHRMAPT
SCHEMBL5015813 0.92 MAPT (0.44) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL5015812 0.92 MAPT (0.44) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL5015808 0.92 MAPT (0.44) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL5017982 0.90 FFAR1 (0.53) PPARGPPARAMAPTFFAR1KDR
SCHEMBL5017984 0.90 FFAR1 (0.53) PPARGPPARAMAPTFFAR1KDR

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 PPARG 7/4885PPARA 6/4885ALDH1A1 2575/4885

“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.