SCHEMBL18848280

SCHEMBL18848280

CCCC(=O)OC(C)OC(=O)NCCNCCNCCNC(=O)OC(C)OC(=O)CCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.36
ACHE P22303 8/20 0.33
EPHX1 P07099 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
COMT P21964 1/20 0.31

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
SCHEMBL18848363 1.00 ALDH1A1 (0.36) ALDH1A1LMNAACHEEPHX1CHRNB2
SCHEMBL18848221 1.00 ALDH1A1 (0.36) ALDH1A1LMNAACHEEPHX1CHRNB2
SCHEMBL18848246 0.93 TLR2 (0.35) ALDH1A1LMNAACHEEPHX1CHRNB2
SCHEMBL18848339 0.93 TLR2 (0.35) ALDH1A1LMNAACHEEPHX1CHRNB2
SCHEMBL18848341 0.93 TLR2 (0.35) ALDH1A1LMNAACHEEPHX1CHRNB2
SCHEMBL18848358 0.86 CHRNB2 (0.32) ACHEEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL18848222 0.86 CHRNB2 (0.32) ACHEEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL18848275 0.86 CHRNB2 (0.32) ACHEEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL1883974 0.85 ALDH1A1 (0.35) ALDH1A1LMNAACHEEPHX1CHRNB2
SCHEMBL18848242 0.80 ALDH1A1 (0.34) ALDH1A1LMNAACHEEPHX1ALOX15

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-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

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 ALDH1A1 688/4885LMNA 1764/4885ACHE 2310/4885

“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.