SCHEMBL2990189

SCHEMBL2990189

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS1 P23219 1/20 0.37
APEX1 P27695 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SOAT1 P35610 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1218297 1.00 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL4439992 1.00 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL31731080 0.98 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL31731078 0.91 MAPT (0.36) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL2604752 0.88 MAPT (0.34) TSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL13133072 0.86 TSHR (0.45) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL15503269 0.86 ALDH1A1 (0.34) TSHRSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4438761 0.85 MAPT (0.43) ALDH1A1MAPTSOAT1
SCHEMBL2991296 0.85 MAPT (0.43) ALDH1A1MAPTSOAT1
SCHEMBL2988909 0.85 MAPT (0.43) ALDH1A1MAPTSOAT1

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 7 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-8324273-B2 Catechol protected levodopa 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

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 TSHR 2748/4885SMN1; SMN2 59/4885ALDH1A1 996/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC TSHR 2693/4885SMN1; SMN2 66/4885ALDH1A1 893/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT TSHR 3809/4885SMN1; SMN2 94/4885ALDH1A1 636/4885

“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.