SCHEMBL2986132

SCHEMBL2986132

CC[C@@H](C)OC(=O)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HPGD P15428 1/20 0.38
CTSK P43235 3/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSH P09668 2/20 0.37
EPHX1 P07099 1/20 0.36
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL2988848 1.00 LMNA (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL7843971 1.00 LMNA (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2984192 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2987876 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2980853 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2987026 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2240092 0.98 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2984985 0.96 HPGD (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL2991371 0.96 HPGD (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1
SCHEMBL10321883 0.96 HPGD (0.41) LMNAALDH1A1SMN1; SMN2ADRB2ADRB1

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-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
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP disclosed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US disclosed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 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 (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 LMNA 2422/4885ALDH1A1 996/4885SMN1; SMN2 59/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC LMNA 2510/4885ALDH1A1 893/4885SMN1; SMN2 66/4885

“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.