SCHEMBL1213161

SCHEMBL1213161

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.38
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD1 P21728 2/20 0.34
ADRB2 P07550 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
LDHA P00338 1/20 0.33
ATM Q13315 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MME P08473 2/20 0.32
ACE P12821 2/20 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
SCHEMBL1211902 0.96 ALOX15 (0.38) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1213374 0.94 ALOX15 (0.41) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1214451 0.94 ALOX15 (0.39) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1209648 0.93 ALOX15 (0.39) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1218058 0.93 ALOX15 (0.40) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1209692 0.93 ALOX15 (0.41) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1214369 0.93 ALOX15 (0.40) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1213070 0.93 DRD1 (0.41) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1210954 0.93 ALOX15 (0.40) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1
SCHEMBL1217809 0.93 ALOX15 (0.38) ALOX15ALDH1A1KDM4ESMN1; SMN2DRD1

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 636/4885KDM4E 2550/4885

“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.