SCHEMBL5029893

SCHEMBL5029893

CCCCc1ccc(COC(=O)NCc2cc(CC3(C(=O)O)CCCO3)ccc2OCC)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.36
PPARA Q07869 9/20 0.36
NAAA Q02083 1/20 0.36
ASAH1 Q13510 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TGM2 P21980 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL5031917 0.91 L3MBTL1 (0.37) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL5031746 0.91 PPARG (0.41) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL5031733 0.89 MAPT (0.39) PPARGPPARANAAAASAH1L3MBTL1
SCHEMBL5036977 0.89 OPRM1 (0.35) PPARGPPARASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5036999 0.88 PPARD (0.47) PPARGPPARAOPRM1OPRD1OPRK1
SCHEMBL5031806 0.88 TSHR (0.44) PPARGPPARASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5029863 0.87 RAB9A (0.36) PPARGPPARASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5031971 0.86 PPARA (0.39) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL5029873 0.86 CYP3A4 (0.44) NAAASMN1; SMN2ALDH1A1
SCHEMBL5031759 0.85 PPARG (0.42) PPARGPPARAALDH1A1L3MBTL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD PPARG 2/4885PPARA 1/4885NAAA 2178/4885

“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.