SCHEMBL6154546

SCHEMBL6154546

O=C(CC(CC(=O)OCc1ccc(C(F)(F)F)cc1)OC(=O)OCc1ccccc1)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.46
PPARA Q07869 6/20 0.46
MGLL Q99685 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP12 P39900 2/20 0.43
MMP1 P03956 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
TSHR P16473 1/20 0.41
CTSL P07711 1/20 0.41
CTSK P43235 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
SCHEMBL6154936 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1
SCHEMBL6156588 0.85 ALDH1A1 (0.47) PPARGPPARAMGLLALDH1A1MAPK1
SCHEMBL6153983 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL6154133 0.83 MEN1 (0.50) PPARAALDH1A1MAPK1L3MBTL1
SCHEMBL6153745 0.81 ATM (0.52) PPARGPPARAALDH1A1MAPK1L3MBTL1
SCHEMBL6154481 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL6155113 0.79 HTR2A (0.49) ALDH1A1
SCHEMBL6153580 0.78 ABCB1 (0.51) ALDH1A1MAPK1L3MBTL1
SCHEMBL19833246 0.78 SLC15A1 (0.47) PPARGPPARAMGLLALDH1A1MAPK1
SCHEMBL18133683 0.78 SLC15A1 (0.47) PPARGPPARAMGLLALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these UBE INDUSTRIES, LTD. (JP) 2005-06-02 US disclosed
EP-1500642-A1 3-SUBSTITUTED OXYGLUTARIC DIESTER COMPOUND, OPTICALLY ACTIVE 3-SUBSTITUTED OXYGLUTARIC MONOESTER COMPOUND, AND PROCESSES FOR PRODUCING THESE Ube Industries, Ltd. (JP) 2005-01-26 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-20050119341-A1 3-substituted oxyglutaric diester compound, optically active 3-substituted oxyglutaric monoester compound, and processes for producing these OGDH, GLUL, ADSL PPARG 810/4885PPARA 1813/4885MGLL 77/4885

“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.