SCHEMBL5145196

SCHEMBL5145196

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 1/20 0.34
CYP2D6 P10635 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TRPA1 O75762 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL60410 0.86 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1GLO1LMNA
SCHEMBL5578317 0.82 ALDH1A1 (0.42) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL18179071 0.78 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1LMNAHSD17B10
SCHEMBL141446 0.78 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1LMNAHSD17B10
SCHEMBL6049861 0.77 ALDH1A1 (0.42) ALDH1A1HPGDLMNAHSD17B10TSHR
SCHEMBL15460605 0.77 ALDH1A1 (0.37) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL7278815 0.77 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1GLO1LMNA
SCHEMBL5143740 0.76 ALDH1A1 (0.33) ALDH1A1NPSR1GLO1LMNAHSD17B10
SCHEMBL8800602 0.76 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1LMNAHSD17B10
Ethane SCHEMBL9181718 0.76 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1LMNAHSD17B10

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 514/4885HPGD 61/4885NPSR1 2146/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 ALDH1A1 130/4885HPGD 64/4885NPSR1 1943/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 ALDH1A1 135/4885HPGD 62/4885NPSR1 1432/4885

“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.