SCHEMBL18816751

SCHEMBL18816751

CC(C)C(=O)OCOC(=O)NCCNCCNCCNC(=O)OCOC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRNA4 P43681 3/20 0.37
ALOX15 P16050 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
SCHEMBL18848234 0.92 ACHE (0.36) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18848370 0.85 CHRNB2 (0.32) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18792725 0.83 ACHE (0.36) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1880867 0.83 ACHE (0.36) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18816756 0.80 ACHE (0.39) ACHE
SCHEMBL15113723 0.80 CHRNB2 (0.49) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23125495 0.78 CYP2D6 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18848270 0.78 ACHE (0.42) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18631734 0.78 ACHE (0.36) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18848351 0.76 CHRNB2 (0.35) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738620-B2 Trientine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-08-22 US disclosed
US-9738620-B2 Trientine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-08-22 US disclosed
US-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 US disclosed
US-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-05-11 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-20170129868-A1 TRIENTINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE SLC10A1, ABCB11, SLC10A2 ACHE 2310/4885CHRNB2 4731/4885CHRNB4 4644/4885

“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.