SCHEMBL1213743

SCHEMBL1213743

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.40
DRD1 P21728 2/20 0.34
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 1/20 0.33
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
DRD3 P35462 1/20 0.32
LDHA P00338 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
MME P08473 2/20 0.31
ACE P12821 2/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL1215439 0.94 ALOX15 (0.43) ALOX15DRD1ALDH1A1ATMMAPT
SCHEMBL1213448 0.94 ALOX15 (0.40) ALOX15DRD1ALDH1A1ATMADRB2
SCHEMBL1212912 0.93 ALOX15 (0.40) ALOX15DRD1ADRB2ADRA2ADRD2
SCHEMBL1211613 0.93 ALOX15 (0.48) ALOX15DRD1ALDH1A1ATMMAPT
SCHEMBL1213970 0.92 ALOX15 (0.42) ALOX15DRD1ALDH1A1ATMADRB2
SCHEMBL1213262 0.91 ALOX15 (0.52) ALOX15ALDH1A1ITGB3PTPN1
SCHEMBL1215130 0.91 ALOX15 (0.49) ALOX15DRD1ALDH1A1MAPTADRB2
SCHEMBL1212898 0.91 ALOX15 (0.47) ALOX15DRD1ALDH1A1ATMMAPT
SCHEMBL1216037 0.91 ALOX15 (0.46) ALOX15DRD1ALDH1A1ATMMAPT
SCHEMBL1214987 0.90 ALOX15 (0.43) ALOX15DRD1ALDH1A1ATMADRB2

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 513/4885DRD1 88/4885ALDH1A1 636/4885

“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.