SCHEMBL5032957

SCHEMBL5032957

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1COC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.39
FSHR P23945 1/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
FAAH O00519 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5036996 0.92 PPARG (0.41) ALDH1A1PPARGPPARATSHRMAPT
SCHEMBL5037134 0.88 PPARG (0.45) ALDH1A1PPARGPPARAMAPTRAB9A
SCHEMBL5037083 0.88 CYP1A2 (0.40) ALDH1A1PPARGPPARAMAPTMEN1
SCHEMBL5031782 0.87 KMT2A (0.41) ALDH1A1PPARGPPARATSHRMAPT
SCHEMBL5031759 0.85 PPARG (0.42) ALDH1A1PPARGPPARATSHRMAPT
SCHEMBL5034475 0.85 RAB9A (0.51) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL5032962 0.85 PPARA (0.43) ALDH1A1PPARGPPARAMAPTMEN1
SCHEMBL5031840 0.82 ALDH1A1 (0.40) ALDH1A1PPARGPPARATSHRMAPT
SCHEMBL5034560 0.81 ALDH1A1 (0.37) ALDH1A1PPARGPPARATSHRNPC1
SCHEMBL5031806 0.79 TSHR (0.44) ALDH1A1PPARGPPARATSHRMEN1

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 1662/4885PPARG 2/4885PPARA 1/4885

“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.