SCHEMBL5031782

SCHEMBL5031782

CCOc1ccc(NC(=O)OCc2cc(CC3(C(=O)O)CCCO3)ccc2OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PPARG P37231 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
SCHEMBL5036996 0.92 PPARG (0.41) KMT2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL5032962 0.90 PPARA (0.43) KMT2AALDH1A1MAPK1L3MBTL1FAAH
SCHEMBL5034475 0.89 RAB9A (0.51) KMT2AALDH1A1MAPK1L3MBTL1HTT
SCHEMBL5032957 0.87 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1L3MBTL1HTT
SCHEMBL5031917 0.86 L3MBTL1 (0.37) ALDH1A1MAPK1L3MBTL1HTTMAPT
SCHEMBL5037134 0.85 PPARG (0.45) KMT2AALDH1A1FAAHMAPTMEN1
SCHEMBL5037083 0.83 CYP1A2 (0.40) KMT2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL5034560 0.83 ALDH1A1 (0.37) KMT2AALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL5031733 0.82 MAPT (0.39) L3MBTL1FAAHMAPTTSHRPPARG
SCHEMBL5139221 0.81 PPARG (0.47) KMT2AALDH1A1HTTMAPTMEN1

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 KMT2A 1549/4885ALDH1A1 1662/4885MAPK1 1346/4885

“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.