SCHEMBL2989669

SCHEMBL2989669

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
EPHX1 P07099 1/20 0.44
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.42
HCAR2 Q8TDS4 2/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.40
FAAH O00519 2/20 0.40

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
SCHEMBL4438814 1.00 NAAA (0.47) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL1217435 1.00 NAAA (0.47) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL19359802 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL1217726 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL20381900 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL2976445 0.94 ALDH1A1 (0.48) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL2988638 0.94 ALDH1A1 (0.48) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL4924002 0.94 ALDH1A1 (0.48) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL2984925 0.86 HCAR2 (0.36) TSHRALDH1A1HCAR2LMNAFAAH
SCHEMBL4439901 0.86 HCAR2 (0.36) TSHRALDH1A1HCAR2LMNAFAAH

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 7 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

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 NAAA 542/4885EPHX1 711/4885TSHR 2748/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC NAAA 479/4885EPHX1 581/4885TSHR 2693/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT NAAA 557/4885EPHX1 219/4885TSHR 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.