SCHEMBL2993046

SCHEMBL2993046

C[CH][C@H](C)OC(=O)[C@H](C)CC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2978629 1.00 HSD17B10 (0.32) HSD17B10KDM4EKMT2AL3MBTL1MAPT
SCHEMBL4439934 1.00 HSD17B10 (0.32) HSD17B10KDM4EKMT2AL3MBTL1MAPT
SCHEMBL2996212 1.00 HSD17B10 (0.32) HSD17B10KDM4EKMT2AL3MBTL1MAPT
SCHEMBL2984003 1.00 HSD17B10 (0.32) HSD17B10KDM4EKMT2AL3MBTL1MAPT
SCHEMBL4736439 1.00 HSD17B10 (0.32) HSD17B10KDM4EKMT2AL3MBTL1MAPT
SCHEMBL2990050 0.83 SMN1; SMN2 (0.39) HSD17B10KDM4EKMT2AMAPT
SCHEMBL2991430 0.83 SMN1; SMN2 (0.39) HSD17B10KDM4EKMT2AMAPT
SCHEMBL5009651 0.83 SMN1; SMN2 (0.39) HSD17B10KDM4EKMT2AMAPT
SCHEMBL2990977 0.83 SMN1; SMN2 (0.39) HSD17B10KDM4EKMT2AMAPT
SCHEMBL2988145 0.83 SMN1; SMN2 (0.39) HSD17B10KDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US claimed
US-8324272-B2 Levodopa dimethyl-substituted diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2010-07-08 US disclosed
US-7709527-B2 2-acetyloxy-1-methylpropyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate; Parkinson's disease; crystalline forms; improved pharmacokinetics; oral administration XENOPORT, INC. (US) 2010-05-04 US disclosed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 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 (2 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-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, DDT, DDC HSD17B10 1818/4885KDM4E 1443/4885KMT2A 541/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC HSD17B10 1783/4885KDM4E 1558/4885KMT2A 634/4885

“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.