SCHEMBL26325841

SCHEMBL26325841

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.43
BCHE P06276 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCB1 P08183 3/20 0.40
KMT2A Q03164 6/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NLRP3 Q96P20 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
SCHEMBL24088617 0.87 ALDH1A1 (0.47) ALDH1A1MAPTBCHEL3MBTL1ABCB1
SCHEMBL24088563 0.84 ALDH1A1 (0.51) ALDH1A1MAPTBCHEL3MBTL1ABCB1
SCHEMBL24088615 0.81 ALDH1A1 (0.48) ALDH1A1MAPTBCHEL3MBTL1ABCB1
SCHEMBL24088548 0.81 MAPT (0.44) ALDH1A1MAPTL3MBTL1KMT2ALMNA
SCHEMBL26325837 0.80 BCHE (0.41) ALDH1A1MAPTBCHEL3MBTL1ABCB1
SCHEMBL28914273 0.79 ALDH1A1 (0.41) ALDH1A1MAPTBCHEABCB1KMT2A
SCHEMBL24088616 0.78 ALDH1A1 (0.45) ALDH1A1BCHEL3MBTL1ABCB1KMT2A
SCHEMBL26325839 0.76 ALDH1A1 (0.44) ALDH1A1MAPTBCHEKMT2ALMNA
SCHEMBL25622071 0.73 ALDH1A1 (0.49) ALDH1A1MAPTBCHEL3MBTL1KMT2A
SCHEMBL30261641 0.73 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KMT2ALMNA

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 2 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
CN-112955115-A Bioenergy glyceryl nicotinates, compositions and methods of using the same 联合利华知识产权控股有限公司 2021-06-11 CN 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 1255/4885MAPT 2136/4885BCHE 1663/4885

“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.