SCHEMBL1216950

SCHEMBL1216950

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CFD P00746 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ INSR P06213 1/20 0.36

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
SCHEMBL1215127 0.94 ALOX15 (0.51) ALOX15ALDH1A1PTGS1ADRB2ADRA2A
SCHEMBL1217508 0.92 ALOX15 (0.49) ALOX15ALDH1A1PTGS1TRPV1ADRB2
SCHEMBL1215796 0.92 ALOX15 (0.59) ALOX15ALDH1A1ADRB2ADRA2ADRD2
SCHEMBL1214090 0.92 ALOX15 (0.59) ALOX15ALDH1A1ADRB2ADRA2ADRD2
SCHEMBL1216223 0.90 ALOX15 (0.51) ALOX15ALDH1A1PTGS1TRPV1ADRB2
SCHEMBL1218342 0.90 ALOX15 (0.58) ALOX15ALDH1A1ADRB2ADRA2ADRD2
SCHEMBL1216801 0.90 ALOX15 (0.50) ALOX15ALDH1A1ADRB2ADRA2ADRD2
SCHEMBL1218561 0.90 ALOX15 (0.60) ALOX15ALDH1A1TRPV1ADRB2ADRA2A
SCHEMBL1218127 0.90 ALOX15 (0.44) ALOX15ALDH1A1PTGS1ADRB2ADRA2A
SCHEMBL1216463 0.89 ALOX15 (0.48) ALOX15ALDH1A1PTGS1ADRB2ADRA2A

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 636/4885PTGS1 1328/4885

“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.

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