SCHEMBL6154490

SCHEMBL6154490

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HCAR2 Q8TDS4 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
LMNA P02545 2/20 0.39
TGM2 P21980 1/20 0.39
CDC25B P30305 1/20 0.38
SLC15A1 P46059 2/20 0.38

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
SCHEMBL6153501 0.88 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1HCAR2SLC6A2
SCHEMBL6154936 0.85 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1HCAR2SLC6A2
SCHEMBL6153580 0.81 ABCB1 (0.51) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6330533 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1HCAR2SLC6A2
SCHEMBL5793033 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1HCAR2SLC6A2
SCHEMBL6153498 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1HCAR2SLC6A2
SCHEMBL6154481 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL6156217 0.80 TSHR (0.55) ALDH1A1MAPK1L3MBTL1HCAR2SLC6A2
SCHEMBL6154133 0.78 MEN1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2ALMNA
SCHEMBL6156588 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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.