SCHEMBL2980293

SCHEMBL2980293

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 1/20 0.36
LMNA P02545 4/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 1/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SOAT1 P35610 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 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
SCHEMBL149834 1.00 MAPT (0.38) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL25380452 1.00 MAPT (0.38) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL2984199 1.00 MAPT (0.38) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL25382868 1.00 MAPT (0.38) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL4739842 0.92 TSHR (0.42) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL4923865 0.92 TSHR (0.42) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL31731025 0.92 MAPT (0.35) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL1217615 0.92 TSHR (0.42) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL19018871 0.90 MAPT (0.34) MAPTALDH1A1TSHRCHRM2CHRM4
SCHEMBL2985140 0.89

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 996/4885TSHR 2748/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC MAPT 356/4885ALDH1A1 893/4885TSHR 2693/4885

“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.