SCHEMBL24088563

SCHEMBL24088563

CC1(C)OCC(OC(=O)c2cccnc2)CO1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 3/20 0.45
ABCB1 P08183 5/20 0.45
BCHE P06276 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NLRP3 Q96P20 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL24088617 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AABCB1BCHEL3MBTL1
SCHEMBL24088615 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AABCB1BCHEL3MBTL1
SCHEMBL26325839 0.86 ALDH1A1 (0.44) ALDH1A1KMT2ABCHENLRP3MAPT
SCHEMBL24088616 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AABCB1BCHEL3MBTL1
SCHEMBL26325841 0.84 ALDH1A1 (0.44) ALDH1A1KMT2AABCB1BCHEL3MBTL1
SCHEMBL28914273 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AABCB1BCHENLRP3
SCHEMBL26325837 0.80 BCHE (0.41) ALDH1A1KMT2AABCB1BCHEL3MBTL1
SCHEMBL25622071 0.80 ALDH1A1 (0.49) ALDH1A1KMT2ABCHEL3MBTL1MAPT
SCHEMBL21243069 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AL3MBTL1MAPTLMNA
SCHEMBL30261641 0.79 ALDH1A1 (0.59) ALDH1A1KMT2AL3MBTL1MAPTLMNA

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 3 patents. 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
US-11767314-B2 Bioenergetic nicotinic acid glycerol esters, compositions and methods of using same CONOPCO, INC. (US) 2023-09-26 US disclosed
US-20210380564-A1 BIOENERGETIC NICOTINIC ACID GLYCEROL ESTERS, COMPOSITIONS AND METHODS OF USING SAME CONOPCO, INC., D/B/A UNILEVER (US) 2021-12-09 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 (2 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 1255/4885KMT2A 3175/4885ABCB1 4204/4885
US-20210380564-A1 BIOENERGETIC NICOTINIC ACID GLYCEROL ESTERS, COMPOSITIONS AND METHODS OF USING SAME PRKAG1, PRKAB1, PRKAG2 ALDH1A1 1255/4885KMT2A 3175/4885ABCB1 4204/4885

“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.