SCHEMBL1210657

SCHEMBL1210657

CCCCCOC(=O)Oc1ccc(C[C@H](NCC(C)OC(=O)OCCC(C)C)C(=O)O)cc1OC(=O)OCCCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.44
ALDH1A1 P00352 2/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
ITGB1 P05556 3/20 0.36
ITGA4 P13612 3/20 0.36
PPARG P37231 2/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD1 P21728 1/20 0.34

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
SCHEMBL1215368 1.00 ALOX15 (0.44) ALOX15ALDH1A1ITGB3ITGA2BITGB1
SCHEMBL1217905 0.97 ALOX15 (0.43) ALOX15ALDH1A1ITGB3ITGA2BITGB1
SCHEMBL1214921 0.95 ALOX15 (0.48) ALOX15ALDH1A1ITGB3ITGA2BITGB1
SCHEMBL1212374 0.94 ALOX15 (0.47) ALOX15ALDH1A1ITGB3ITGA2BITGB1
SCHEMBL1210954 0.94 ALOX15 (0.40) ALOX15ALDH1A1ITGB3ITGA4PPARG
SCHEMBL1214662 0.94 ALOX15 (0.47) ALOX15ALDH1A1ITGB3ITGA2BITGB1
SCHEMBL1215597 0.94 ALOX15 (0.47) ALOX15ALDH1A1ITGB3ITGA2BITGB1
SCHEMBL1214369 0.94 ALOX15 (0.40) ALOX15ALDH1A1ITGB3ITGA4PPARG
SCHEMBL1213374 0.94 ALOX15 (0.41) ALOX15ALDH1A1ITGA4KDM4ESMN1; SMN2
SCHEMBL1216189 0.93 ALOX15 (0.44) ALOX15ALDH1A1TRPV1KDM4ESMN1; 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.