SCHEMBL9906196

SCHEMBL9906196

CCN1CCOCCN(CC)CCN(CC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 2/20 0.44
▸ CHRNA7 P36544 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL474212 0.97 — —
SCHEMBL15265769 0.97 USP2 (0.46) KDM4EALDH1A1USP2GAACHRNA7
SCHEMBL3167 0.97 — —
SCHEMBL8135220 0.97 — —
Fluoride SCHEMBL7750159 0.97 — —
SCHEMBL28231022 0.97 USP2 (0.46) KDM4EALDH1A1USP2GAACHRNA7
Fluoride SCHEMBL11426086 0.97 USP2 (0.46) KDM4EALDH1A1USP2GAACHRNA7
SCHEMBL4717301 0.95 ALDH1A1 (0.56) KDM4EALDH1A1USP2GAACHRNA7
SCHEMBL23481366 0.94 ALDH1A1 (0.48) KDM4EALDH1A1USP2GAASMN1; SMN2
SCHEMBL14787910 0.94 ALDH1A1 (0.48) KDM4EALDH1A1USP2GAASMN1; SMN2

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-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 — — US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 — — 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ KDM4E 3407/4885ALDH1A1 2764/4885USP2 2792/4885

“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.

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