SCHEMBL4346276

SCHEMBL4346276

COc1ccc(CC(OC(C)C)C(=O)O)cc1OCCOc1ccc(C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.55
PPARG P37231 13/20 0.55
PPARD Q03181 9/20 0.55
LDHA P00338 1/20 0.47
MMP1 P03956 4/20 0.46
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 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
SCHEMBL4341834 0.88 PPARA (0.53) PPARAPPARGPPARDLDHAMMP1
SCHEMBL4334772 0.87 PPARA (0.59) PPARAPPARGPPARDLDHAMMP1
SCHEMBL4334949 0.84 PPARG (0.50) PPARAPPARGPPARDLDHAMMP1
SCHEMBL4341706 0.83 PPARG (0.51) PPARAPPARGPPARDLDHAMMP1
SCHEMBL4341964 0.83 MMP1 (0.50) PPARAPPARGPPARDLDHAMMP1
SCHEMBL4328603 0.82 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL13819719 0.82 MMP1 (0.53) PPARAPPARGPPARDLDHAMMP1
SCHEMBL13819270 0.82 SIGMAR1 (0.40) PPARAPPARGPPARDLDHAALDH1A1
SCHEMBL5556283 0.80 PPARG (0.51) PPARAPPARGPPARD
SCHEMBL13819356 0.79 MMP1 (0.55) PPARAPPARGPPARDLDHAMMP1

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-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-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.