SCHEMBL1213086

SCHEMBL1213086

CCC(C)OC(=O)OC(C)CN[C@@H](Cc1ccc(OC(=O)CCC(C)C)c(OC(=O)CCC(C)C)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.46
ALDH1A1 P00352 2/20 0.36
LDHA P00338 1/20 0.34
ATM Q13315 1/20 0.33
MME P08473 4/20 0.33
ACE P12821 3/20 0.33
CPA1 P15085 2/20 0.33
ACE2 Q9BYF1 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
FOLH1 Q04609 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL1213722 0.94 ALOX15 (0.42) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1215567 0.93 ALOX15 (0.47) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1214717 0.93 ALOX15 (0.44) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1209952 0.93 ALOX15 (0.46) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1211640 0.92 ALOX15 (0.56) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1214598 0.91 ALOX15 (0.45) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1210589 0.91 ALOX15 (0.45) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1214356 0.91 ALOX15 (0.45) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1209834 0.91 ALOX15 (0.47) ALOX15ALDH1A1LDHAATMMME
SCHEMBL1215439 0.91 ALOX15 (0.43) ALOX15ALDH1A1LDHAATMMME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2011-02-03 US disclosed
US-7829592-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2010-11-09 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 (1 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-20110028544-A1 CATECHOL PROTECTED LEVODOPA DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, PARK7, DDT ALOX15 513/4885ALDH1A1 636/4885LDHA 358/4885

“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.