SCHEMBL6153568

SCHEMBL6153568

O=C(CC(O)CC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
SLC15A1 P46059 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
CDC25B P30305 1/20 0.51
ABCB1 P08183 1/20 0.49
LMNA P02545 2/20 0.49
HCAR2 Q8TDS4 1/20 0.49
MMP9 P14780 1/20 0.46

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
SCHEMBL14993140 0.92 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL14994287 0.92 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL25622569 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL5829150 0.91 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL10779380 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL28002144 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL15180189 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL10774468 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL28002474 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1
SCHEMBL10778044 0.90 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC15A1TDP1

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 ALDH1A1 434/4885MAPK1 3475/4885L3MBTL1 3103/4885

“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.