SCHEMBL1210482

SCHEMBL1210482

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.41
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
DRD1 P21728 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
LDHA P00338 1/20 0.35
ATM Q13315 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
ALDH1A1 P00352 1/20 0.33
FPR2 P25090 1/20 0.32
MME P08473 3/20 0.31
ACE P12821 3/20 0.31
ACE2 Q9BYF1 2/20 0.31
CPA1 P15085 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
SCHEMBL1213019 0.97 ALOX15 (0.40) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1214772 0.97 ALOX15 (0.40) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1217785 0.96 DRD1 (0.39) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1216076 0.96 DRD1 (0.39) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1214907 0.95 ALOX15 (0.38) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1211985 0.95 ALOX15 (0.38) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1212209 0.95 ALOX15 (0.39) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1213341 0.95 ALOX15 (0.39) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1214300 0.94 ALOX15 (0.39) ALOX15ITGB3ITGAVDRD1ADRB2
SCHEMBL1213268 0.94 ALOX15 (0.39) ALOX15ITGB3ITGAVDRD1ADRB2

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 513/4885ITGB3 4675/4885ITGAV 4787/4885

“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.