SCHEMBL24414481

SCHEMBL24414481

CC(CO)OC(=O)[C@H](C)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
PRKCA P17252 2/20 0.33
TSHR P16473 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 1/20 0.32
FAAH O00519 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OR51E2 Q9H255 1/20 0.31

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
SCHEMBL24414509 1.00 TDP1 (0.36) TDP1TP53PRKCATSHRCHRM2
SCHEMBL537216 1.00 TDP1 (0.36) TDP1TP53PRKCATSHRCHRM2
SCHEMBL24414625 1.00 TDP1 (0.36) TDP1TP53PRKCATSHRCHRM2
SCHEMBL24414490 1.00 TDP1 (0.36) TDP1TP53PRKCATSHRCHRM2
SCHEMBL24414483 1.00 TDP1 (0.36) TDP1TP53PRKCATSHRCHRM2
SCHEMBL4440312 0.83 OR51E2 (0.40) TDP1PRKCATSHRCHRM2CHRM4
SCHEMBL20296911 0.82 PRKCA (0.34) TDP1PRKCATSHRCHRM2CHRM4
SCHEMBL24414473 0.81 FAAH (0.37) TP53TSHRCHRM2CHRM4CHRM1
SCHEMBL24414503 0.81 FAAH (0.37) TP53TSHRCHRM2CHRM4CHRM1
SCHEMBL24414497 0.81 FAAH (0.37) TP53TSHRCHRM2CHRM4CHRM1

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 TDP1 3609/4885TP53 853/4885PRKCA 1660/4885

“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.