SCHEMBL1215952

SCHEMBL1215952

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.51
DRD1 P21728 2/20 0.40
ALDH1A1 P00352 1/20 0.38
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
ITGB3 P05106 4/20 0.34
ITGAV P06756 1/20 0.34
LDHA P00338 1/20 0.34
ITGA2B P08514 3/20 0.34
ATM Q13315 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TNF P01375 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL1213965 0.94 ALOX15 (0.52) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1213687 0.94 ALOX15 (0.54) ALOX15DRD1ALDH1A1ITGB3ITGA2B
SCHEMBL1210321 0.93 ALOX15 (0.50) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1214447 0.93 ALOX15 (0.55) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1211819 0.93 ALOX15 (0.54) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1213970 0.92 ALOX15 (0.42) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1209756 0.92 ALOX15 (0.49) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1214769 0.92 ALOX15 (0.49) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1209665 0.92 ALOX15 (0.60) ALOX15DRD1ALDH1A1ADRB2ADRA2A
SCHEMBL1211613 0.92 ALOX15 (0.48) ALOX15DRD1ALDH1A1ADRB2ADRA2A

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 513/4885DRD1 88/4885ALDH1A1 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.