SCHEMBL21939909

SCHEMBL21939909

C=C(C)C1OC(=O)C(C(=C)C)OC1=O

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL22510071 0.63 KDM4E (0.36) KDM4ELMNARAB9A
SCHEMBL27363604 0.62
Methacrylic Acid SCHEMBL22009643 0.60 TDP1 (0.31)
SCHEMBL762958 0.58
Acetone SCHEMBL4923420 0.57 LMNA (0.35) LMNA
SCHEMBL583681 0.57
SCHEMBL14740572 0.57
SCHEMBL28679401 0.55
Fluoride SCHEMBL28250615 0.55
SCHEMBL8626318 0.53

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 5 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

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 KDM4E 306/4885ALDH1A1 230/4885LMNA 1516/4885
US-20230174500-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF HOGA1, ABAT, GLO1 KDM4E 172/4885ALDH1A1 429/4885LMNA 2223/4885
US-20200325113-A1 PRODRUGS OF ALPHA-KETOGLUTARATE, ALPHA-KETOBUTYRATE, ALPHA-KETOISOVALERATE, AND ALPHA-KETOISOHEXANOATE, AND USES THEREOF HOGA1, ABAT, GLO1 KDM4E 172/4885ALDH1A1 429/4885LMNA 2223/4885

“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.