SCHEMBL6154481

SCHEMBL6154481

CCOC(=O)CC(CC(=O)OCC)OC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
SLC15A1 P46059 2/20 0.44
LMNA P02545 2/20 0.44
PPID Q08752 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL6154936 0.91 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1SLC15A1LMNA
SCHEMBL6154244 0.89 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL6153580 0.87 ABCB1 (0.51) ALDH1A1L3MBTL1MAPK1SLC15A1LMNA
SCHEMBL6154493 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL6156217 0.85 TSHR (0.55) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL6154031 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1TSHRLMNA
SCHEMBL6154487 0.85 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1TSHRSLC15A1
SCHEMBL6153293 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TSHRLMNA
SCHEMBL6154329 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TSHRLMNA
SCHEMBL6153452 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TSHRLMNA

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 434/4885L3MBTL1 3103/4885MAPK1 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.