SCHEMBL5031806

SCHEMBL5031806

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 3/20 0.37
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
FFAR1 O14842 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5029983 0.91 PPARG (0.38) TSHRSMN1; SMN2ALDH1A1MAPK1PPARG
SCHEMBL5031759 0.91 PPARG (0.42) TSHRALDH1A1PPARGPPARAFFAR1
SCHEMBL5031746 0.90 PPARG (0.41) ALDH1A1MAPK1PPARGPPARAL3MBTL1
SCHEMBL5031917 0.90 L3MBTL1 (0.37) ALDH1A1MAPK1PPARGPPARAL3MBTL1
SCHEMBL5031840 0.90 ALDH1A1 (0.40) TSHRSMN1; SMN2ALDH1A1MAPK1PPARG
SCHEMBL5036977 0.89 OPRM1 (0.35) SMN1; SMN2ALDH1A1MAPK1PPARGPPARA
SCHEMBL5029873 0.89 CYP3A4 (0.44) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5029893 0.88 PPARG (0.36) SMN1; SMN2ALDH1A1MAPK1PPARGPPARA
SCHEMBL5031733 0.87 MAPT (0.39) TSHRPPARGPPARAL3MBTL1
SCHEMBL5036999 0.87 PPARD (0.47) PPARGPPARAOPRM1OPRD1OPRK1

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 TSHR 219/4885SMN1; SMN2 4707/4885ALDH1A1 1662/4885

“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.