SCHEMBL2990035

SCHEMBL2990035

C[CH][C@H](C)OC(=O)OCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 3/20 0.37
PKM P14618 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.33
ALOX15 P16050 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
SCHEMBL4438256 1.00 CA1 (0.38) CA1CA12CA2CA9TDP1
SCHEMBL2986571 1.00 CA1 (0.38) CA1CA12CA2CA9TDP1
SCHEMBL4439897 0.82 HCAR2 (0.38) TDP1HSD17B10LMNAALDH1A1TSHR
SCHEMBL2982784 0.82 HCAR2 (0.38) TDP1HSD17B10LMNAALDH1A1TSHR
SCHEMBL2984921 0.82 HCAR2 (0.38) TDP1HSD17B10LMNAALDH1A1TSHR
SCHEMBL1218293 0.80 TSHR (0.45) TDP1LMNAALDH1A1KMT2ATSHR
SCHEMBL2990188 0.80 TSHR (0.45) TDP1LMNAALDH1A1KMT2ATSHR
SCHEMBL4439990 0.80 TSHR (0.45) TDP1LMNAALDH1A1KMT2ATSHR
SCHEMBL12712171 0.79 CA1 (0.43) CA1CA12CA2CA9TDP1
SCHEMBL2976441 0.79 ATM (0.47) TDP1MAPK1LMNAALDH1A1TSHR

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 CA1 3495/4885CA12 2951/4885CA2 4598/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC CA1 3342/4885CA12 2663/4885CA2 4529/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT CA1 2312/4885CA12 1536/4885CA2 3246/4885

“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.