SCHEMBL5143738

SCHEMBL5143738

C#CCC(C(=O)OCC)C(=O)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
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
CYP2C9 P11712 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
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 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 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
SCHEMBL5804056 0.86 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL9023602 0.81 ALDH1A1 (0.39) ALDH1A1TSHRGLO1LMNAHSD17B10
SCHEMBL717299 0.78 ALDH1A1 (0.40) ALDH1A1TSHRNPSR1GLO1LMNA
SCHEMBL20184104 0.75 CYP1A2 (0.35) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL5141898 0.75 GAA (0.47) ALDH1A1TSHRLMNAKMT2ATDP1
SCHEMBL4773196 0.75 TDP1 (0.38) ALDH1A1TSHRNPSR1GLO1LMNA
SCHEMBL10510357 0.74 ALDH1A1 (0.33) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL23043980 0.74 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL5146402 0.73 TDP1 (0.37) ALDH1A1TSHRNPSR1GLO1LMNA
SCHEMBL25181738 0.73 MGAM (0.43) ALDH1A1TSHRNPSR1GLO1LMNA

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 514/4885TSHR 2569/4885NPSR1 2146/4885
US-20050100993-A1 Methods for producing hydroxy amino acids and derivatives thereof ALDH7A1, BCKDK, HSD17B12 ALDH1A1 130/4885TSHR 3214/4885NPSR1 1943/4885
US-20050192439-A1 Methods for producing hydroxy amino acids, esters, and derivatives thereof ALDH7A1, BCKDK, ADH5 ALDH1A1 135/4885TSHR 2706/4885NPSR1 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.