SCHEMBL1213694

SCHEMBL1213694

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.52
ALDH1A1 P00352 1/20 0.40
TRPV1 Q8NER1 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
FAAH O00519 2/20 0.35
PTPN1 P18031 1/20 0.34
TOP2A P11388 2/20 0.34
PPARG P37231 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 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
SCHEMBL1211575 0.98 ALOX15 (0.54) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1213053 0.94 ALOX15 (0.51) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1213189 0.94 ALOX15 (0.51) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1211134 0.93 ALOX15 (0.53) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1211459 0.93 ALOX15 (0.55) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1214174 0.92 ALOX15 (0.59) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1214172 0.92 ALOX15 (0.53) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1212907 0.92 ALOX15 (0.53) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1214747 0.92 ALOX15 (0.51) ALOX15ALDH1A1TRPV1TOP2A
SCHEMBL1213401 0.91 ALOX15 (0.55) ALOX15ALDH1A1TRPV1ITGB3ITGA2B

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 636/4885TRPV1 4568/4885

“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.