SCHEMBL3669657

SCHEMBL3669657

Cc1ncc(COC(=O)C(O)CC(C)C)c(CO)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 4/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
PDXK O00764 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AOX1 Q06278 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
GAA P10253 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL5364590 0.87 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5351375 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL405403 0.80 HPGD (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL29906194 0.80 HPGD (0.55) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5346682 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24248105 0.76 HPGD (0.65) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL1983313 0.75 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL31306175 0.75 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL5364587 0.74 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL21916171 0.74 PNPO (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156648-A1 Preparations containing pyridoxine and alpha-hydroxyisocaproic acid (HICA) IOVATE T. & P. INC. (CA) 2009-06-18 US claimed
US-20090156647-A1 Method for maintaining physiological pH levels during intensive physical exercise IOVATE T. & P. INC. (CA) 2009-06-18 US claimed
EP-2231604-A1 PREPARATIONS CONTAINING PYRIDOXINE AND ALPHA-HYDROXYISOCAPROIC ACID (HICA) Northern Innovations and Formulations Corp. (CA) 2010-09-29 EP disclosed
WO-2009073944-A1 USE OF PYRIDOXINE α-HYDROXYISOCAPROATE TO REDUCE METABOLIC ACIDOSIS AND AMMONIA ACCUMULATION IOVATE T. & P. INC. (CA) 2009-06-18 WO disclosed
WO-2009073944-A1 USE OF PYRIDOXINE α-HYDROXYISOCAPROATE TO REDUCE METABOLIC ACIDOSIS AND AMMONIA ACCUMULATION IOVATE T. & P. INC. (CA) 2009-06-18 WO disclosed
WO-2009073943-A1 PREPARATIONS CONTAINING PYRIDOXINE AND ALPHA-HYDROXYISOCAPROIC ACID (HICA) IOVATE T. & P. INC. (CA) 2009-06-18 WO disclosed
US-20090156648-A1 Preparations containing pyridoxine and alpha-hydroxyisocaproic acid (HICA) IOVATE T. & P. INC. (CA) 2009-06-18 US disclosed
US-20090156647-A1 Method for maintaining physiological pH levels during intensive physical exercise IOVATE T. & P. INC. (CA) 2009-06-18 US disclosed
US-20090156647-A1 Method for maintaining physiological pH levels during intensive physical exercise IOVATE T. & P. INC. (CA) 2009-06-18 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-20090156648-A1 Preparations containing pyridoxine and alpha-hydroxyisocaproic acid (HICA) PNPO, CYP3A5, CYP8B1 KDM4E 1424/4885ALDH1A1 871/4885HPGD 17/4885

“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.