SCHEMBL1213019

SCHEMBL1213019

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.40
LDHA P00338 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ATM Q13315 1/20 0.36
DRD1 P21728 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FPR2 P25090 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 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
SCHEMBL1210482 0.97 ALOX15 (0.41) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1214772 0.96 ALOX15 (0.40) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1213341 0.94 ALOX15 (0.39) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1216076 0.93 DRD1 (0.39) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1217785 0.93 DRD1 (0.39) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1209311 0.93 ALOX15 (0.38) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1216883 0.93 ALOX15 (0.38) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1213357 0.93 ALOX15 (0.45) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1212529 0.93 ALOX15 (0.40) ALOX15LDHAITGB3ITGAVATM
SCHEMBL1211985 0.92 ALOX15 (0.38) ALOX15LDHAITGB3ITGAVATM

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 358/4885ITGB3 4675/4885

“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.