SCHEMBL2984392

SCHEMBL2984392

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SOAT1 P35610 1/20 0.46
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 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
HCAR2 Q8TDS4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 1/20 0.33
GLO1 Q04760 1/20 0.33
MMP8 P22894 1/20 0.31
MAPT P10636 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
SCHEMBL2986943 1.00 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL4439897 0.83 HCAR2 (0.38) ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL2982784 0.83 HCAR2 (0.38) ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL2984921 0.83 HCAR2 (0.38) ALDH1A1LMNAHSD17B10HCAR2
SCHEMBL11264143 0.81 ALDH1A1 (0.48) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2990188 0.81 TSHR (0.45) ALDH1A1LMNA
SCHEMBL1218293 0.81 TSHR (0.45) ALDH1A1LMNA
SCHEMBL4439990 0.81 TSHR (0.45) ALDH1A1LMNA
SCHEMBL2988636 0.80 ATM (0.47) ALDH1A1LMNAHCAR2NPSR1MAPT
SCHEMBL2976441 0.80 ATM (0.47) ALDH1A1LMNAHCAR2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP claimed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US claimed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO claimed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
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
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US disclosed
WO-2008079387-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-07-03 WO 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-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, DDT, DDC ALDH1A1 996/4885SOAT1 3532/4885LMNA 2422/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC ALDH1A1 893/4885SOAT1 3560/4885LMNA 2510/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT ALDH1A1 636/4885SOAT1 4309/4885LMNA 3425/4885

“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.