SCHEMBL26325839

SCHEMBL26325839

O=C(OC1COC2(CCCCC2)OC1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
BCHE P06276 1/20 0.42
MAPT P10636 1/20 0.40
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.39
NLRP3 Q96P20 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.39
APP P05067 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL24088563 0.86 ALDH1A1 (0.51) ALDH1A1BCHEMAPTKMT2ALMNA
SCHEMBL26325811 0.80 MAPT (0.46) ALDH1A1MAPTKMT2ATDP1LMNA
SCHEMBL24088615 0.80 ALDH1A1 (0.48) ALDH1A1BCHEMAPTKMT2ATDP1
SCHEMBL24088616 0.80 ALDH1A1 (0.45) ALDH1A1BCHEKMT2ANLRP3
SCHEMBL25622071 0.79 ALDH1A1 (0.49) ALDH1A1BCHEMAPTKMT2ATDP1
SCHEMBL24088617 0.79 ALDH1A1 (0.47) ALDH1A1BCHEMAPTKMT2ATDP1
SCHEMBL9717131 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AATMLMNA
SCHEMBL21243069 0.76 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ATDP1ATM
SCHEMBL30261641 0.76 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ATDP1ATM
SCHEMBL26325841 0.76 ALDH1A1 (0.44) ALDH1A1BCHEMAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767314-B2 Bioenergetic nicotinic acid glycerol esters, compositions and methods of using same CONOPCO, INC. (US) 2023-09-26 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 (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-11767314-B2 Bioenergetic nicotinic acid glycerol esters, compositions and methods of using same PRKAG1, PRKAB1, PRKAG2 ALDH1A1 1255/4885BCHE 1663/4885MAPT 2136/4885

“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.