SCHEMBL11293043

SCHEMBL11293043

C/C=C(\OC(C)=O)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
GLO1 Q04760 1/20 0.47
NPSR1 Q6W5P4 2/20 0.42
SOAT1 P35610 1/20 0.41
MAPT P10636 2/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CYP2C9 P11712 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL11422481 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL6898586 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL11416591 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL11416602 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL28221030 0.83 THRB (0.46) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL7101348 0.81 NPSR1 (0.48) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL7101351 0.81 NPSR1 (0.48) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL13275367 0.80 GLO1 (0.41) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL11418961 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GLO1NPSR1
SCHEMBL13275368 0.80 GLO1 (0.41) ALDH1A1LMNAHSD17B10GLO1NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174500-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-08 US disclosed
US-20230174500-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-08 US disclosed
US-11524948-B2 Prodrugs of alpha-ketoglutarate, alpha-ketobutyrate, alpha-ketoisovalerate, and alpha-ketoisohexanoate, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-13 US disclosed
US-20200325113-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-15 US disclosed
WO-2020081836-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-04-23 WO disclosed
EP-0043088-A1 Process for the production of alkyl esters of acetoactic acid HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-06 EP disclosed
US-4194051-A Asymmetric catalysis MONSANTO COMPANY (US) 1980-03-18 US 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 (3 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-11524948-B2 Prodrugs of alpha-ketoglutarate, alpha-ketobutyrate, alpha-ketoisovalerate, and alpha-ketoisohexanoate, and uses thereof HOGA1, TKT, BCKDK ALDH1A1 230/4885LMNA 1516/4885HSD17B10 127/4885
US-20230174500-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF HOGA1, ABAT, GLO1 ALDH1A1 429/4885LMNA 2223/4885HSD17B10 70/4885
US-20200325113-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF HOGA1, ABAT, GLO1 ALDH1A1 429/4885LMNA 2223/4885HSD17B10 70/4885

“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.