SCHEMBL6153580

SCHEMBL6153580

COC(=O)CC(CC(=O)OC)OC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MMP9 P14780 1/20 0.43
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
SLC15A1 P46059 1/20 0.42

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
SCHEMBL6154183 0.96 ABCB1 (0.48) ABCB1ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL6154182 0.96 ABCB1 (0.48) ABCB1ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL6154936 0.89 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6156217 0.87 TSHR (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6154481 0.87 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL8854953 0.86 ABCB1 (0.43) ABCB1ALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL7701759 0.85 ABCB1 (0.52) ABCB1ALDH1A1MAPK1L3MBTL1SLC6A2
SCHEMBL6153745 0.85 ATM (0.52) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL6154700 0.84 SYK (0.45) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6154244 0.84 ALDH1A1 (0.45) ABCB1ALDH1A1MAPK1L3MBTL1SLC6A2

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.