SCHEMBL2984192

SCHEMBL2984192

CC[C@H](C)OC(=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CTSK P43235 3/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSH P09668 2/20 0.39
EPHX1 P07099 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 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
SCHEMBL2240092 1.00 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL2987026 1.00 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL2980853 1.00 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL2987876 1.00 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL2988848 0.98 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL2986132 0.98 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL7843971 0.98 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL2984985 0.94 HPGD (0.41) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL2991371 0.94 HPGD (0.41) ALDH1A1LMNASMN1; SMN2CTSKCTSL
SCHEMBL10321883 0.94 HPGD (0.41) ALDH1A1LMNASMN1; SMN2CTSKCTSL

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 ALDH1A1 996/4885LMNA 2422/4885SMN1; SMN2 59/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC ALDH1A1 893/4885LMNA 2510/4885SMN1; SMN2 66/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT ALDH1A1 636/4885LMNA 3425/4885SMN1; SMN2 94/4885

“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.