SCHEMBL1214951

SCHEMBL1214951

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.51
ALDH1A1 P00352 2/20 0.36
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
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
PPARG P37231 2/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRB2 P47870 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
SCHEMBL1213029 0.95 ALOX15 (0.54) ALOX15ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL1213667 0.94 ALOX15 (0.43) ALOX15ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL1212810 0.94 ALOX15 (0.47) ALOX15ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL1214548 0.93 ALOX15 (0.54) ALOX15ALDH1A1ITGB3ITGA2BADRB2
SCHEMBL1209773 0.93 ALOX15 (0.46) ALOX15ALDH1A1ITGB3ITGA2BKDM4E
SCHEMBL1216915 0.93 ALOX15 (0.51) ALOX15ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL1214408 0.93 ALOX15 (0.49) ALOX15ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL1214369 0.92 ALOX15 (0.40) ALOX15ALDH1A1ITGB3KDM4ESMN1; SMN2
SCHEMBL1213174 0.92 ALOX15 (0.52) ALOX15ALDH1A1ITGB3ITGA2BPPARG
SCHEMBL1210954 0.92 ALOX15 (0.40) ALOX15ALDH1A1ITGB3KDM4ESMN1; SMN2

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 636/4885ITGB3 4675/4885

“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.