SCHEMBL1212912

SCHEMBL1212912

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.40
LCK P06239 1/20 0.34
DRD1 P21728 2/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 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
SCHEMBL1218413 0.94 ALOX15 (0.43) ALOX15LCKDRD1MEN1CYP1A2
SCHEMBL1213976 0.94 ALOX15 (0.40) ALOX15LCKDRD1MEN1CYP1A2
SCHEMBL1213743 0.93 ALOX15 (0.40) ALOX15DRD1ADRB2ADRA2ADRD2
SCHEMBL1216560 0.91 ALOX15 (0.49) ALOX15LCKHDAC1HDAC6
SCHEMBL1216930 0.91 ALOX15 (0.44) ALOX15LCKDRD1MEN1CYP1A2
SCHEMBL1217722 0.91 ALOX15 (0.41) ALOX15LCKDRD1MEN1CYP1A2
SCHEMBL1214931 0.91 ALOX15 (0.46) ALOX15LCKDRD1TSHRKMT2A
SCHEMBL1217302 0.90 ALOX15 (0.43) ALOX15LCKDRD1MEN1CYP1A2
SCHEMBL1215325 0.90 ALOX15 (0.40) ALOX15LCKDRD1MEN1CYP1A2
SCHEMBL1212034 0.90 ALOX15 (0.41) ALOX15LCKDRD1KMT2ANPSR1

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 513/4885LCK 4539/4885DRD1 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.