SCHEMBL1216612

SCHEMBL1216612

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.38
LCK P06239 1/20 0.36
DRD1 P21728 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 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
SCHEMBL1217809 0.96 ALOX15 (0.38) ALOX15LCKDRD1KDM4EALDH1A1
SCHEMBL1217039 0.94 ALOX15 (0.41) ALOX15LCKDRD1KDM4EALDH1A1
SCHEMBL1218161 0.94 ALOX15 (0.39) ALOX15LCKDRD1KDM4EALDH1A1
SCHEMBL1215688 0.93 ALOX15 (0.40) ALOX15LCKDRD1KDM4EALDH1A1
SCHEMBL1211902 0.93 ALOX15 (0.38) ALOX15DRD1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1215181 0.93 ALOX15 (0.40) ALOX15LCKDRD1KDM4EALDH1A1
SCHEMBL1216540 0.92 ALOX15 (0.41) ALOX15LCKDRD1ALDH1A1ADRB2
SCHEMBL1216941 0.92 ALOX15 (0.36) ALOX15LCKDRD1KDM4EALDH1A1
SCHEMBL1218809 0.92 ALOX15 (0.36) ALOX15LCKDRD1KDM4EALDH1A1
SCHEMBL1218177 0.91 ALOX15 (0.43) ALOX15LCKDRD1KDM4ESMN1; SMN2

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.