SCHEMBL13324904

SCHEMBL13324904

CC(C)OC(C)C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 2/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL13324878 0.86 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL13359381 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL17901790 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL13324875 0.82 L3MBTL1 (0.42) ALDH1A1SMN1; SMN2HPGDGAAL3MBTL1
SCHEMBL14557548 0.78 HPGD (0.36) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL20311441 0.78 CYP3A4 (0.58) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL738198 0.77 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL20413346 0.77 CHRM1 (0.42) ALDH1A1L3MBTL1KDM4E
SCHEMBL18292237 0.77 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10
SCHEMBL13912231 0.75 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2HPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714131-B2 Process for the stereoselective preparation of (−)-halofenate and derivatives thereof METABOLEX, INC. (US) 2010-05-11 US disclosed
US-20070072858-A1 Process for the stereoselective preparation of (-)-halofenate and derivatives thereof METABOLEX, INC. (US) 2007-03-29 US disclosed
US-20070072858-A1 Process for the stereoselective preparation of (-)-halofenate and derivatives thereof METABOLEX, INC. (US) 2007-03-29 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-20070072858-A1 Process for the stereoselective preparation of (-)-halofenate and derivatives thereof CCNY, C1S, CBR3 ALDH1A1 3229/4885SMN1; SMN2 4772/4885HPGD 3602/4885

“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.