SCHEMBL5029863

SCHEMBL5029863

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)OCc1ccc(OC(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 4/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 3/20 0.34
PPARG P37231 7/20 0.34
PPARA Q07869 7/20 0.34
PPARD Q03181 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 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
SCHEMBL5031917 0.93 L3MBTL1 (0.37) RAB9ANPC1MAPTALDH1A1OPRM1
SCHEMBL5036977 0.90 OPRM1 (0.35) SMN1; SMN2ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5031733 0.90 MAPT (0.39) MAPTPPARGPPARAL3MBTL1
SCHEMBL5031746 0.89 PPARG (0.41) ALDH1A1OPRM1OPRD1OPRK1PPARG
SCHEMBL5037098 0.89 PPARG (0.46) RAB9ASMN1; SMN2MAPTPPARGPPARA
SCHEMBL5031971 0.88 PPARA (0.39) MAPTALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5029893 0.87 PPARG (0.36) SMN1; SMN2ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5036999 0.86 PPARD (0.47) OPRM1OPRD1OPRK1PPARGPPARA
SCHEMBL5031806 0.86 TSHR (0.44) SMN1; SMN2ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL5029873 0.85 CYP3A4 (0.44) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 RAB9A 3232/4885NPC1 1190/4885SMN1; SMN2 4707/4885

“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.