SCHEMBL2980900

SCHEMBL2980900

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 4/20 0.47
EPHX2 P34913 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FAAH O00519 4/20 0.37

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
SCHEMBL1585214 1.00 ALDH1A1 (0.50) ALDH1A1LMNAEPHX2CA12CA1
SCHEMBL2989645 1.00 ALDH1A1 (0.50) ALDH1A1LMNAEPHX2CA12CA1
SCHEMBL645070 0.90 CA12 (0.45) ALDH1A1LMNAEPHX2CA12CA1
SCHEMBL9628763 0.88 ALDH1A1 (0.48) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL2689971 0.86 LMNA (0.59) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL2982658 0.86 LMNA (0.59) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL2988368 0.86 LMNA (0.59) ALDH1A1LMNAEPHX2MAPTMAPK1
SCHEMBL10554751 0.86 LMNA (0.57) ALDH1A1LMNAEPHX2CA12CA1
SCHEMBL6231000 0.86 LMNA (0.52) ALDH1A1LMNAEPHX2CA12CA1
SCHEMBL4740185 0.85 LMNA (0.68) ALDH1A1LMNAEPHX2MAPTMAPK1

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 ALDH1A1 996/4885LMNA 2422/4885EPHX2 299/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC ALDH1A1 893/4885LMNA 2510/4885EPHX2 235/4885

“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.