SCHEMBL2992790

SCHEMBL2992790

CC[C@H](C)OC(=O)OC1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
NAAA Q02083 2/20 0.44
HTT P42858 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CTSK P43235 4/20 0.35
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12306829 1.00 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2983911 1.00 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2986206 1.00 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2981153 1.00 EPHX1 (0.47) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2983934 0.98 EPHX1 (0.44) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL2987813 0.98 EPHX1 (0.44) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL13157268 0.98 EPHX1 (0.44) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL6744518 0.92 EPHX1 (0.44) EPHX1NAAAHTTCYP19A1CYP2C19
SCHEMBL13157266 0.91 EPHX1 (0.35) EPHX1NAAACYP19A1CYP2C19LMNA
SCHEMBL6444540 0.91 EPHX1 (0.35) EPHX1NAAACYP19A1CYP2C19LMNA

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 EPHX1 711/4885NAAA 542/4885HTT 169/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC EPHX1 581/4885NAAA 479/4885HTT 212/4885

“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.