SCHEMBL24088552

SCHEMBL24088552

CCC1(CC)OCC(COC(=O)c2cccnc2)O1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 6/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
AGTR1 P30556 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL24088551 0.88 L3MBTL1 (0.48) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL24088547 0.86 MAPT (0.48) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL30621799 0.86 MAPT (0.48) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL26325811 0.81 MAPT (0.46) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL24088550 0.81 MAPT (0.44) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL24088548 0.81 MAPT (0.44) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL24088615 0.79 ALDH1A1 (0.48) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL24088549 0.77 TDP1 (0.42) L3MBTL1LMNAMAPTKMT2ATDP1
SCHEMBL9079375 0.73 ALDH1A1 (0.39) LMNAALDH1A1CYP3A4
SCHEMBL1351831 0.73 NPC1 (0.41) LMNAKMT2AALDH1A1MEN1CYP1A2

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 L3MBTL1 4656/4885LMNA 2336/4885MAPT 2136/4885
US-20210380564-A1 BIOENERGETIC NICOTINIC ACID GLYCEROL ESTERS, COMPOSITIONS AND METHODS OF USING SAME PRKAG1, PRKAB1, PRKAG2 L3MBTL1 4656/4885LMNA 2336/4885MAPT 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.