SCHEMBL2988909

SCHEMBL2988909

CCC(C)COC(=O)O[C@H](C)CC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.32
FFAR1 O14842 1/20 0.31
SOAT1 P35610 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
SCHEMBL4438761 1.00 MAPT (0.43) MAPTALDH1A1FAAHFFAR1SOAT1
SCHEMBL2991296 1.00 MAPT (0.43) MAPTALDH1A1FAAHFFAR1SOAT1
SCHEMBL18856288 0.86 MAPT (0.40) MAPTALDH1A1FAAH
SCHEMBL31731078 0.85 MAPT (0.36) MAPTALDH1A1SOAT1
SCHEMBL4439992 0.85 TSHR (0.42) MAPTALDH1A1SOAT1
SCHEMBL1218297 0.85 TSHR (0.42) MAPTALDH1A1SOAT1
SCHEMBL2990189 0.85 TSHR (0.42) MAPTALDH1A1SOAT1
SCHEMBL18558788 0.85 FAAH (0.45) MAPTALDH1A1FAAH
SCHEMBL25392616 0.84 MAPT (0.50) MAPTALDH1A1FFAR1SOAT1
SCHEMBL1127763 0.84 MAPT (0.50) MAPTALDH1A1FFAR1SOAT1

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 MAPT 233/4885ALDH1A1 996/4885FAAH 453/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC MAPT 356/4885ALDH1A1 893/4885FAAH 461/4885

“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.