SCHEMBL18816752

SCHEMBL18816752

O=C(NCCNCCNCCNC(=O)OCOC(=O)C1CCCCC1)OCOC(=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
EPHX1 P07099 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAAA Q02083 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
CHRM1 P11229 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
SCHEMBL18848235 0.93 CHRNB2 (0.36) ALDH1A1EPHX1ADRB2ADRB1ADRB3
SCHEMBL1883879 0.86 ALDH1A1 (0.37) ALDH1A1EPHX1ADRB2ADRB1ADRB3
SCHEMBL18792727 0.86 ALDH1A1 (0.40) ALDH1A1EPHX1ADRB2ADRB1ADRB3
SCHEMBL18631686 0.81 ALDH1A1 (0.37) ALDH1A1EPHX1ADRB2ADRB1ADRB3
SCHEMBL392016 0.81 ALDH1A1 (0.38) ALDH1A1EPHX1ADRB2ADRB1ADRB3
SCHEMBL10099631 0.80 ALDH1A1 (0.50) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL3895683 0.80 NAAA (0.35) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL1885005 0.79 ALDH1A1 (0.37) ALDH1A1EPHX1ADRB2ADRB1ADRB3
SCHEMBL390786 0.79 ADRB2 (0.37) ALDH1A1ADRB2ADRB1ADRB3MEN1
SCHEMBL1890780 0.78 NAAA (0.37) ALDH1A1ADRB2ADRB1ADRB3NAAA

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 ALDH1A1 688/4885EPHX1 391/4885ADRB2 4275/4885

“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.