SCHEMBL5031840

SCHEMBL5031840

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1CNC(=O)OCc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
XBP1 P17861 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
P2RX7 Q99572 5/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
NLRP1 Q9C000 1/20 0.36

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
SCHEMBL5031929 0.90 PPARA (0.36) ALDH1A1MAPK1PPARGPPARASMN1; SMN2
SCHEMBL5031806 0.90 TSHR (0.44) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL5031759 0.89 PPARG (0.42) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL5037083 0.86 CYP1A2 (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5034509 0.86 HDAC1 (0.41) MEN1KMT2AKDM4EPOLBTHRB
SCHEMBL5031917 0.86 L3MBTL1 (0.37) ALDH1A1MAPTL3MBTL1MAPK1PPARG
SCHEMBL5031746 0.86 PPARG (0.41) ALDH1A1L3MBTL1MAPK1PPARGPPARA
SCHEMBL5029983 0.86 PPARG (0.38) ALDH1A1MAPK1PPARGPPARASMN1; SMN2
SCHEMBL5036977 0.85 OPRM1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL5029862 0.84 EPHX2 (0.40) MEN1KMT2AGAAL3MBTL1PPARG

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 ALDH1A1 1662/4885MAPT 4663/4885MEN1 4855/4885

“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.