SCHEMBL5146402

SCHEMBL5146402

CCOC(=O)C(=O)C(CCC(C)C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPK1 P28482 2/20 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
SCHEMBL335395 0.87 TDP1 (0.44) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL4773196 0.86 TDP1 (0.38) TDP1MEN1KMT2AALDH1A1NPSR1
Ethane SCHEMBL28448159 0.85 TDP1 (0.43) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL8160913 0.83 TDP1 (0.42) TDP1MEN1KMT2AALDH1A1POLB
SCHEMBL8409948 0.82 TDP1 (0.42) TDP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL4142966 0.82 TP53 (0.41) TDP1MEN1KMT2AALDH1A1GLO1
SCHEMBL717299 0.81 ALDH1A1 (0.40) TDP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL27008515 0.81 L3MBTL1 (0.49) TDP1MEN1KMT2AALDH1A1NPSR1
SCHEMBL7029641 0.79 ZDHHC7 (0.43) TDP1MEN1KMT2AL3MBTL1
SCHEMBL15987047 0.78 CYP1A2 (0.47) TDP1MEN1KMT2AALDH1A1POLB

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 TDP1 2164/4885MEN1 4215/4885KMT2A 1691/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 TDP1 2778/4885MEN1 3827/4885KMT2A 548/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 TDP1 3149/4885MEN1 4144/4885KMT2A 1034/4885

“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.