SCHEMBL1212705

SCHEMBL1212705

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.46
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 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
SCHEMBL1211931 0.94 ALOX15 (0.43) ALOX15MEN1CYP1A2POLBCYP3A4
SCHEMBL1218454 0.94 ALOX15 (0.51) ALOX15CNR1CNR2ALDH1A1
SCHEMBL1217302 0.94 ALOX15 (0.43) ALOX15MEN1CYP1A2POLBCYP3A4
SCHEMBL1217724 0.93 ALOX15 (0.54) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1216915 0.93 ALOX15 (0.51) ALOX15MEN1CYP1A2POLBCYP3A4
SCHEMBL1209773 0.93 ALOX15 (0.46) ALOX15ADRB2ADRA2ADRD2ADRA2C
SCHEMBL1214517 0.92 ALOX15 (0.54) ALOX15HDAC1HDAC6CNR1CNR2
SCHEMBL1210665 0.92 ALOX15 (0.57) ALOX15CNR1CNR2ALDH1A1
SCHEMBL1215688 0.92 ALOX15 (0.40) ALOX15MEN1CYP1A2POLBCYP3A4
SCHEMBL1215181 0.92 ALOX15 (0.40) ALOX15MEN1CYP1A2POLBCYP3A4

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 513/4885MEN1 1297/4885CYP1A2 584/4885

“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.