SCHEMBL5032962

SCHEMBL5032962

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1COC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 3/20 0.40
MGLL Q99685 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
FAAH O00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
CREBBP Q92793 1/20 0.34
LMNA P02545 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
SCHEMBL5037134 0.92 PPARG (0.45) PPARAPPARGMGLLALDH1A1MEN1
SCHEMBL5031782 0.90 KMT2A (0.41) PPARAPPARGCYP1A2L3MBTL1ALDH1A1
SCHEMBL5036996 0.89 PPARG (0.41) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL5036999 0.87 PPARD (0.47) PPARAPPARGPPARDCYP1A2CYP2C9
SCHEMBL5034475 0.86 RAB9A (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL5032957 0.85 ALDH1A1 (0.45) PPARAPPARGCYP1A2CYP2C19L3MBTL1
SCHEMBL5034560 0.82 ALDH1A1 (0.37) PPARAPPARGL3MBTL1ALDH1A1MAPK1
SCHEMBL5031915 0.81 PPARG (0.44) PPARAPPARGPPARDCYP2C9CYP2C19
SCHEMBL5037083 0.81 CYP1A2 (0.40) PPARAPPARGPPARDCYP1A2CYP2C19
SCHEMBL5029983 0.79 PPARG (0.38) PPARAPPARGPPARDALDH1A1MAPK1

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 PPARA 1/4885PPARG 2/4885PPARD 3/4885

“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.