SCHEMBL5143740

SCHEMBL5143740

CCOC(=O)C(=O)C(=O)C(CC(C)C)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MME P08473 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PPID Q08752 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
MMP8 P22894 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL335607 0.82 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL10807025 0.80 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL489304 0.78 MME (0.43) ALDH1A1LMNAHSD17B10TDP1MME
SCHEMBL13269414 0.78 ALDH1A1 (0.40) ALDH1A1NPSR1GLO1TSHRLMNA
SCHEMBL7434626 0.77 MME (0.40) ALDH1A1NPSR1GLO1TSHRLMNA
SCHEMBL13269056 0.76 GLO1 (0.36) ALDH1A1NPSR1GLO1TSHRLMNA
SCHEMBL13269383 0.76 NPSR1 (0.40) ALDH1A1NPSR1GLO1TSHRLMNA
SCHEMBL5145196 0.76 ALDH1A1 (0.39) ALDH1A1NPSR1GLO1TSHRLMNA
SCHEMBL7624689 0.76 MME (0.42) ALDH1A1LMNAHSD17B10TDP1MME
SCHEMBL179900 0.76 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301031-B2 Methods for producing hydroxy amino acids, esters, and derivatives thereof BIOCATALYTICS, INC. (US) 2007-11-27 US disclosed
US-7081535-B2 Hydroxy-amino acids BIOCATALYTICS, INC. (US) 2006-07-25 US disclosed
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof CODEXIS, INC. 2005-09-01 US disclosed
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof BIOCATALYTICS, INC. 2005-05-12 US disclosed
US-6833471-B2 Contacting beta-ketodiester having ketone and two esters with a ketoreductase under conditions permitting reduction of ketone to alcohol, regioselectively hydrolyzing one of ester groups to acid, converting acid or ester to amine BIOCATALYTICS, INC. 2004-12-21 US disclosed
US-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof CODEXIS, INC. 2004-03-18 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 (3 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-20040053377-A1 Methods for producing hydroxy amino acids and derivatives thereof HMGCR, HSD17B12, BCKDK ALDH1A1 514/4885NPSR1 2146/4885GLO1 181/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 ALDH1A1 130/4885NPSR1 1943/4885GLO1 164/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 ALDH1A1 135/4885NPSR1 1432/4885GLO1 146/4885

“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.