SCHEMBL2993049

SCHEMBL2993049

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
FAAH O00519 1/20 0.35
TSHR P16473 4/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 5/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4439936 1.00 MAPT (0.42) MAPTFAAHTSHRCHRM2CHRM4
SCHEMBL2978632 1.00 MAPT (0.42) MAPTFAAHTSHRCHRM2CHRM4
SCHEMBL17878548 0.86 CYP19A1 (0.37) MAPTFAAHTSHRCHRM2CHRM4
SCHEMBL8986830 0.86 MAPT (0.33) MAPTFAAHTSHRCHRM2CHRM4
SCHEMBL6741820 0.86 MAPT (0.40) MAPTFAAHTSHRCHRM2CHRM4
SCHEMBL6741818 0.86 MAPT (0.40) MAPTFAAHTSHRCHRM2CHRM4
SCHEMBL4739524 0.84 FAAH (0.40) MAPTFAAHTSHRCHRM1ALDH1A1
SCHEMBL17860866 0.84 MAPT (0.39) MAPTFAAH
SCHEMBL14764032 0.84 FAAH (0.43) MAPTFAAHTSHRCHRM1ALDH1A1
SCHEMBL17860705 0.84 MAPT (0.33) MAPTFAAH

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 8 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-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 MAPT 233/4885FAAH 453/4885TSHR 2748/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC MAPT 356/4885FAAH 461/4885TSHR 2693/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT MAPT 361/4885FAAH 412/4885TSHR 3809/4885

“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.