SCHEMBL1213095

SCHEMBL1213095

CCCCCC(=O)Oc1ccc(C[C@H](NCC(C)OC(=O)CCC(C)C)C(=O)O)cc1OC(=O)CCCCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.58
ALDH1A1 P00352 1/20 0.43
TRPV1 Q8NER1 1/20 0.39
TOP2A P11388 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
FAAH O00519 2/20 0.36
PPARG P37231 2/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL1211706 1.00 ALOX15 (0.58) ALOX15ALDH1A1TRPV1TOP2AITGB3
SCHEMBL1215300 0.98 ALOX15 (0.55) ALOX15ALDH1A1TRPV1TOP2AITGB3
SCHEMBL1212273 0.95 ALOX15 (0.64) ALOX15ALDH1A1TRPV1TOP2AITGB3
SCHEMBL1216954 0.94 ALOX15 (0.55) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1216344 0.94 ALOX15 (0.55) ALOX15ALDH1A1TRPV1ITGB3ITGA2B
SCHEMBL1210600 0.94 ALOX15 (0.63) ALOX15ALDH1A1TRPV1TOP2AITGB3
SCHEMBL1209834 0.94 ALOX15 (0.47) ALOX15ALDH1A1
SCHEMBL1212649 0.93 ALOX15 (0.61) ALOX15ALDH1A1TRPV1TOP2AITGB3
SCHEMBL1213656 0.93 ALOX15 (0.61) ALOX15ALDH1A1TRPV1TOP2AITGB3
SCHEMBL1212973 0.91 ALOX15 (0.57) ALOX15ALDH1A1TRPV1TOP2ALTA4H

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 636/4885TRPV1 4568/4885

“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.