SCHEMBL1209952

SCHEMBL1209952

COC(=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
LDHA P00338 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
FPR2 P25090 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1214717 0.94 ALOX15 (0.44) ALOX15LDHAALDH1A1ATMFPR2
SCHEMBL1209834 0.94 ALOX15 (0.47) ALOX15LDHAALDH1A1ATMFPR2
SCHEMBL1213086 0.93 ALOX15 (0.46) ALOX15LDHAALDH1A1ATMFPR2
SCHEMBL1213220 0.93 ALOX15 (0.43) ALOX15LDHAALDH1A1ATMFPR2
SCHEMBL1210589 0.92 ALOX15 (0.45) ALOX15LDHAALDH1A1ATMADRB2
SCHEMBL1214490 0.92 ALOX15 (0.43) ALOX15LDHAALDH1A1ATMADRB2
SCHEMBL1215567 0.92 ALOX15 (0.47) ALOX15LDHAALDH1A1ATMADRB2
SCHEMBL1214598 0.92 ALOX15 (0.45) ALOX15LDHAALDH1A1ATMFPR2
SCHEMBL1213667 0.92 ALOX15 (0.43) ALOX15LDHAALDH1A1ATMFPR2
SCHEMBL1211062 0.92 ALOX15 (0.46) ALOX15LDHAALDH1A1ATMFPR2

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 513/4885LDHA 358/4885ALDH1A1 636/4885

“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.