SCHEMBL1217754

SCHEMBL1217754

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.39
LCK P06239 1/20 0.35
DRD1 P21728 2/20 0.34
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HDAC1 Q13547 2/20 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
SCHEMBL1216902 0.93 ALOX15 (0.39) ALOX15DRD1ADRB2ADRA2ADRD2
SCHEMBL1218056 0.93 ALOX15 (0.38) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1212451 0.92 ALOX15 (0.38) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1216987 0.92 ALOX15 (0.43) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1213616 0.91 ALOX15 (0.39) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1214457 0.90 ALOX15 (0.39) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1215818 0.90 ALOX15 (0.41) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1217629 0.90 ALOX15 (0.40) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1212445 0.89 ALOX15 (0.37) ALOX15LCKDRD1ADRB2ADRA2A
SCHEMBL1211396 0.89 ALOX15 (0.39) ALOX15DRD1ADRB2ADRA2ADRD2

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 513/4885LCK 4539/4885DRD1 88/4885

“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.