SCHEMBL26325837

SCHEMBL26325837

CC1(CCc2ccc(O)cc2)OCC(OC(=O)c2cccnc2)CO1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ABCB1 P08183 2/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 0.38
ROCK2 O75116 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36

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 0.82 ALDH1A1 (0.47) BCHEKMT2ATDP1LMNAALDH1A1
SCHEMBL24088549 0.82 TDP1 (0.42) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL24088563 0.80 ALDH1A1 (0.51) BCHEKMT2ALMNAALDH1A1ABCB1
SCHEMBL26325841 0.80 ALDH1A1 (0.44) BCHEKMT2ATDP1LMNAALDH1A1
SCHEMBL28914273 0.79 ALDH1A1 (0.41) BCHEKMT2ATDP1LMNAALDH1A1
SCHEMBL24088615 0.77 ALDH1A1 (0.48) BCHEKMT2ATDP1LMNAALDH1A1
SCHEMBL24088616 0.74 ALDH1A1 (0.45) BCHEKMT2AALDH1A1ABCB1L3MBTL1
SCHEMBL26325839 0.72 ALDH1A1 (0.44) BCHEKMT2ATDP1LMNAALDH1A1
SCHEMBL28577634 0.69 P2RX7 (0.36) KMT2ATDP1LMNAALDH1A1MAPK1
SCHEMBL25622071 0.69 ALDH1A1 (0.49) BCHEKMT2ATDP1LMNAALDH1A1

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
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 BCHE 1663/4885KMT2A 3175/4885TDP1 1507/4885

“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.