SCHEMBL1209462

SCHEMBL1209462

CCCC(=O)Oc1ccc(C[C@H](NCC(C)OC(=O)OCC(C)CC)C(=O)O)cc1OC(=O)CCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.52
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
DRD1 P21728 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
ITGB3 P05106 5/20 0.33
ITGA2B P08514 4/20 0.33
LDHA P00338 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
ITGAV P06756 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 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
SCHEMBL1215304 0.94 ALOX15 (0.55) ALOX15ALDH1A1ITGB3ITGA2BTRPV1
SCHEMBL1211613 0.94 ALOX15 (0.48) ALOX15ALDH1A1MAPTADRB2ADRA2A
SCHEMBL1216637 0.93 ALOX15 (0.53) ALOX15ALDH1A1ADRB2ADRA2ADRD2
SCHEMBL1215439 0.93 ALOX15 (0.43) ALOX15ALDH1A1MAPTADRB2ADRA2A
SCHEMBL1216409 0.93 ALOX15 (0.52) ALOX15ALDH1A1ADRB2ADRA2ADRD2
SCHEMBL1214919 0.92 ALOX15 (0.50) ALOX15ALDH1A1MAPTADRB2ADRA2A
SCHEMBL1214032 0.92 ALOX15 (0.41) ALOX15ALDH1A1MAPTADRB2ADRA2A
SCHEMBL1215351 0.91 ALOX15 (0.43) ALOX15ALDH1A1MAPTADRB2ADRA2A
SCHEMBL1217175 0.91 ALOX15 (0.40) ALOX15ALDH1A1MAPTADRB2ADRA2A
SCHEMBL1214447 0.91 ALOX15 (0.55) ALOX15ALDH1A1ADRB2ADRA2ADRD2

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 513/4885ALDH1A1 636/4885MAPT 361/4885

“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.