SCHEMBL22014094

SCHEMBL22014094

COP(=O)(O)CN1CCN(CP(=O)(O)OC)CCN(CP(=O)(O)OC)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL7450838 0.86 MAPT (0.41) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL22014310 0.77 PPARD (0.48) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL14204465 0.73 MAPT (0.56) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL31222574 0.72 MAPT (0.48) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL24462561 0.71 PPARD (0.42) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL3966649 0.71 MAPT (0.52) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL23532238 0.71 MAPT (0.52) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL336769 0.71 MAPT (0.52) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL25573647 0.70 MAPT (0.58) MAPTALDH1A1KDM4EPOLBMEN1
SCHEMBL13063945 0.68 KDM4E (0.39) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
WO-2020102820-A1 COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-05-22 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 (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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 MAPT 1870/4885ALDH1A1 4407/4885KDM4E 4435/4885

“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.