SCHEMBL4333407

SCHEMBL4333407

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)COc1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
HIF1A Q16665 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
EPAS1 Q99814 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MDH1 P40925 3/20 0.41
MDH2 P40926 3/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4345878 0.92 PPARA (0.50) PPARAPPARGPPARDALDH1A1KMT2A
SCHEMBL4329938 0.92 KMT2A (0.52) PPARAPPARGPPARDHCAR2HIF1A
SCHEMBL4336526 0.90 PPARG (0.45) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL4337069 0.89 PPARG (0.46) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL4339104 0.86 PPARA (0.45) PPARAPPARGPPARDALDH1A1TSHR
SCHEMBL4336292 0.84 PPARA (0.58) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL4335183 0.84 PPARA (0.42) PPARAPPARGPPARDSMN1; SMN2CYP2C19
SCHEMBL4328620 0.83 L3MBTL1 (0.48) PPARAPPARGPPARDALDH1A1MEN1
SCHEMBL4336619 0.81 HIF1A (0.61) PPARAPPARGPPARDHCAR2HIF1A
SCHEMBL4347175 0.81 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARA 339/4885PPARG 379/4885PPARD 753/4885

“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.