SCHEMBL20565115

SCHEMBL20565115

CC(C)(O)N1CCOCCN(C(C)(C)O)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 5/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
MGLL Q99685 2/20 0.33
CA2 P00918 2/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32

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
SCHEMBL3103737 1.00 SMN1; SMN2 (0.39) SMN1; SMN2USP2ALDH1A1RECQLTSHR
SCHEMBL13076972 0.84
SCHEMBL23887411 0.83 SMN1; SMN2 (0.39) SMN1; SMN2USP2ALDH1A1RECQLTSHR
SCHEMBL9420085 0.78
SCHEMBL4471161 0.77 SMN1; SMN2 (0.37) SMN1; SMN2USP2ALDH1A1RECQLTSHR
SCHEMBL85406 0.77 SMN1; SMN2 (0.37) SMN1; SMN2USP2ALDH1A1RECQLTSHR
SCHEMBL10997459 0.75 ALDH1A1 (0.38) SMN1; SMN2USP2ALDH1A1RECQLTSHR
SCHEMBL10512747 0.75 ALDH1A1 (0.38) SMN1; SMN2USP2ALDH1A1RECQLTSHR
SCHEMBL409231 0.74 SMN1; SMN2 (0.40) SMN1; SMN2USP2ALDH1A1RECQLTSHR
SCHEMBL24590134 0.74 SMN1; SMN2 (0.40) SMN1; SMN2USP2ALDH1A1RECQLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534487-B2 Compounds for use as iron(III) MRI contrast agents THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2026-01-27 US disclosed
US-20220259244-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2022-08-18 US disclosed
US-11261208-B2 Compounds for use as iron(III) MRI contrast agents THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-03-01 US disclosed
EP-3624859-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS The Research Foundation for The State University of New York (US) 2020-03-25 EP disclosed
US-20200079806-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2020-03-12 US disclosed
WO-2018213853-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-11-22 WO 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 (4 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-20200079806-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS FECH, HAMP, TFRC SMN1; SMN2 2062/4885USP2 3836/4885ALDH1A1 4334/4885
US-12534487-B2 Compounds for use as iron(III) MRI contrast agents SLC9A3, SLC9A2, SLC9A1 SMN1; SMN2 1990/4885USP2 3484/4885ALDH1A1 4369/4885
US-11261208-B2 Compounds for use as iron(III) MRI contrast agents FECH, HAMP, SLC40A1 SMN1; SMN2 1874/4885USP2 3983/4885ALDH1A1 4378/4885
US-20220259244-A1 COMPOUNDS FOR USE AS IRON(III) MRI CONTRAST AGENTS FECH, HAMP, SLC40A1 SMN1; SMN2 1874/4885USP2 3983/4885ALDH1A1 4378/4885

“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.