SCHEMBL5017455

SCHEMBL5017455

CCOC(=O)C(Cc1ccc(O)cc1OC(C)C)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
AKR1B1 P15121 1/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL3372586 0.87 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL5024469 0.82 ESR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3370060 0.82 ESR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5349166 0.81 CA12 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL3372793 0.79 APP (0.42) CA12CA1CA2CA7CA9
SCHEMBL5095387 0.79 APP (0.42) CA12CA1CA2CA7CA9
SCHEMBL435199 0.76 CYP4F2 (0.47) ALDH1A1TSHRCA12CA1CA2
SCHEMBL3371001 0.75 NR3C1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5017407 0.75 NR3C1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL977514 0.73 PPARA (0.54) CA12CA1CA2CA7CA9

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 ALDH1A1 2575/4885TSHR 969/4885CA12 2485/4885

“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.