SCHEMBL5036637

SCHEMBL5036637

CCOC(=O)C(=CC1COC(C)(C)O1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4421280 0.93 NPSR1 (0.40) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL3218626 0.89 LMNA (0.36) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL475955 0.89 LMNA (0.36) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL3218630 0.89 LMNA (0.36) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL768274 0.89 LMNA (0.36) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL12157202 0.87 LMNA (0.34) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL13482824 0.87 LMNA (0.34) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL13482836 0.87 LMNA (0.34) NPSR1GLO1ALDH1A1GAALMNA
SCHEMBL13568693 0.84 RECQL (0.34) CA2
SCHEMBL4421277 0.84 RECQL (0.34) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361775-B2 Process for the preparation of (S)-glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2008-04-22 US disclosed
EP-1678158-B1 PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE DSM IP ASSETS BV (NL) 2008-03-26 EP disclosed
EP-1673364-B1 PROCESS FOR THE PREPARATION OF (S)-GLYCERALDEHYDE ACETONIDE DSM IP ASSETS BV (NL) 2007-08-22 EP disclosed
US-20070129553-A1 Process for the preparation of glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2007-06-07 US disclosed
US-20070073068-A1 Process for the preparation of (s)-glyceraldehyde acetonide DSM IP ASSETS B.V. (NL) 2007-03-29 US disclosed
CN-1863787-A Process for the preparation of -glyceraldehyde acetonide DSM IP ASSETS BV (NL) 2006-11-15 CN disclosed
EP-1678158-A1 PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE DSM IP Assets B.V. (NL) 2006-07-12 EP disclosed
EP-1673364-A1 PROCESS FOR THE PREPARATION OF (S)-GLYCERALDEHYDE ACETONIDE DSM IP Assets B.V. (NL) 2006-06-28 EP disclosed
WO-2005040149-A1 PROCESS FOR THE PREPARATION OF GLYCERALDEHYDE ACETONIDE DSM IP ASSETS B.V. (NL) 2005-05-06 WO disclosed
WO-2005037819-A1 PROCESS FOR THE PREPARATION OF (S)-GLYCERALDEHYDE ACETONIDE DSM IP ASSETS B.V. (NL) 2005-04-28 WO 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-20070073068-A1 Process for the preparation of (s)-glyceraldehyde acetonide AKR1C3, AK1, GAPDH NPSR1 3114/4885GLO1 26/4885ALDH1A1 71/4885
US-20070129553-A1 Process for the preparation of glyceraldehyde acetonide CA5A, GCG, CA5B NPSR1 3969/4885GLO1 37/4885ALDH1A1 82/4885

“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.