SCHEMBL4841389

SCHEMBL4841389

CCOC(=O)/C(O)=C/C(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 6/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOAT1 P35610 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL4841394 1.00 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL28134967 0.82 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL9806023 0.82 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL27541734 0.82 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2530459 0.80 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2530458 0.80 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4844916 0.80 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4205886 0.80 NPSR1 (0.65) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2288565 0.80 NPSR1 (0.65) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4844923 0.80 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420087-B2 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-09-02 US disclosed
US-20060205817-A1 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof UNIVERSITE LOUIS PASTEUR (FR) 2006-09-14 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 (1 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-20060205817-A1 Method for preparing 4-hydroxyisoleucine diastereoisomers and enantiomers and derivatives thereof CYP4F11, CYP2F1, CYP2S1 NPSR1 2729/4885GLO1 533/4885ALDH1A1 893/4885

“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.