SCHEMBL2988366

SCHEMBL2988366

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.44
FAAH O00519 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PRKCA P17252 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCD Q05655 2/20 0.41
DGKA P23743 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2982657 1.00 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1FAAH
SCHEMBL4739515 1.00 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1FAAH
SCHEMBL4740183 0.94 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2991463 0.92 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2988179 0.92 LMNA (0.67) LMNAMAPTMAPK1ALDH1A1PRKCA
SCHEMBL2989642 0.88 ALDH1A1 (0.46) LMNAMAPTMAPK1ALDH1A1FAAH
SCHEMBL2980898 0.88 ALDH1A1 (0.46) LMNAMAPTMAPK1ALDH1A1FAAH
SCHEMBL4438952 0.88 ALDH1A1 (0.46) LMNAMAPTMAPK1ALDH1A1FAAH
SCHEMBL9323407 0.84 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1FAAH
SCHEMBL2982772 0.79

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 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
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT LMNA 3425/4885MAPT 361/4885MAPK1 4293/4885

“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.