SCHEMBL1218127

SCHEMBL1218127

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 6/20 0.44
▸ ALDH1A1 P00352 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
▸ KDM4E B2RXH2 2/20 0.35
▸ RECQL P46063 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ AGTR2 P50052 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
SCHEMBL1218153 0.92 ALOX15 (0.46) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1211057 0.92 ALOX15 (0.46) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1217114 0.92 ALOX15 (0.43) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1212290 0.91 ALOX15 (0.48) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1215127 0.91 ALOX15 (0.51) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1216828 0.90 ALOX15 (0.47) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1216950 0.90 ALOX15 (0.47) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1217193 0.89 ALOX15 (0.42) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1215080 0.89 ALOX15 (0.43) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1210649 0.89 ALOX15 (0.43) ALOX15ALDH1A1DRD1ADRB2ADRA2A

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 636/4885DRD1 88/4885

“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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