SCHEMBL24414552

SCHEMBL24414552

C[C@H](O)CCOC(=O)[C@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.38
CHRNA4 P43681 5/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL24414472 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL10632942 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL24414508 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL24414532 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL15512289 0.86 ALDH1A1 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL28034 0.85 CA1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL29220621 0.85 CA1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL536577 0.84 ALDH1A1 (0.36) ALDH1A1CA1
SCHEMBL671359 0.84 TP53 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL1498057 0.82 MAPT (0.39) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399288-A1 LACTATE/KETONE BODY ESTERS AARHUS UNIVERSITET (DK) 2023-12-14 US disclosed
US-20230399288-A1 LACTATE/KETONE BODY ESTERS AARHUS UNIVERSITET (DK) 2023-12-14 US disclosed
WO-2023213874-A1 COMBINED LACTATE AND KETONE BODY ESTERS FOR MEDICAL AND NUTRITIONAL USE AARHUS UNIVERSITET (DK) 2023-11-09 WO disclosed
WO-2022096637-A1 LACTATE/KETONE BODY ESTERS AARHUS UNIVERSITET (DK) 2022-05-12 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 (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-20230399288-A1 LACTATE/KETONE BODY ESTERS LDHB, LDHA, IL1B CHRNB2 2925/4885CHRNA4 4042/4885CHRNB4 2770/4885

“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.