SCHEMBL2991463

SCHEMBL2991463

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

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.67
MAPT P10636 3/20 0.58
MAPK1 P28482 2/20 0.58
ALDH1A1 P00352 1/20 0.54
PRKCA P17252 2/20 0.50
PRKCE Q02156 2/20 0.50
PRKCQ Q04759 2/20 0.50
PRKCD Q05655 2/20 0.50
DGKA P23743 1/20 0.50
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
GMNN O75496 1/20 0.46
HSP90AA1 P07900 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL2988179 1.00 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL4740183 0.98 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2988366 0.92 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL4739515 0.92 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2982657 0.92 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL3672430 0.85 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL17075877 0.85 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL4438952 0.84 ALDH1A1 (0.46) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2989642 0.84 ALDH1A1 (0.46) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2980898 0.84 ALDH1A1 (0.46) LMNAMAPTMAPK1ALDH1A1PRKCA

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 9 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-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
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP disclosed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US disclosed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 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 (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 LMNA 2422/4885MAPT 233/4885MAPK1 4003/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC LMNA 2510/4885MAPT 356/4885MAPK1 4188/4885

“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.