SCHEMBL6154183

SCHEMBL6154183

COC(=O)C[C@H](CC(=O)O)OC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.48
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP1 P29466 4/20 0.43
MMP9 P14780 1/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 1/20 0.43
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
MMP12 P39900 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL6154182 1.00 ABCB1 (0.48) ABCB1ALDH1A1MAPK1L3MBTL1CASP1
SCHEMBL6153580 0.96 ABCB1 (0.51) ABCB1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL6330533 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1CASP1HTT
SCHEMBL6154936 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1MMP9SLC6A2
SCHEMBL6153497 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1CASP1MMP9
SCHEMBL6156217 0.83 TSHR (0.55) ALDH1A1MAPK1L3MBTL1MMP9SLC6A2
SCHEMBL6154481 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL28054152 0.82 MMP1 (0.46) ABCB1ALDH1A1CASP1MAOBMMP12
SCHEMBL8854953 0.82 ABCB1 (0.43) ABCB1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL7701759 0.82 ABCB1 (0.52) ABCB1ALDH1A1MAPK1L3MBTL1MMP9

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 ABCB1 3309/4885ALDH1A1 434/4885MAPK1 3475/4885

“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.