SCHEMBL9906223

SCHEMBL9906223

O=[N+]([O-])c1ccc(CC(O)COCC2OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
DRD4 P21917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
KCNJ1 P48048 2/20 0.37
MAPT P10636 1/20 0.37
EPHX1 P07099 1/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
RECQL P46063 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Alcohol SCHEMBL4097978 0.95 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1GAADRD4KDM4E
SCHEMBL19157365 0.81 ADRB2 (0.39) SMN1; SMN2ALDH1A1GAATSHRLMNA
SCHEMBL4097981 0.80 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1GAAKDM4ETSHR
SCHEMBL13558574 0.79 POLB (0.32)
SCHEMBL9906222 0.77 TSHR (0.50) ALDH1A1GAAKDM4ETSHRLMNA
SCHEMBL8543345 0.73 TSHR (0.50) SMN1; SMN2ALDH1A1KDM4ETSHRLMNA
SCHEMBL8933772 0.72 SIGMAR1 (0.52) SMN1; SMN2ALDH1A1GAAKDM4ELMNA
SCHEMBL28629837 0.71 TSHR (0.58) ALDH1A1GAAKDM4ETSHRLMNA
SCHEMBL16367382 0.70 POLB (0.48) ALDH1A1GAATSHRLMNAKCNJ1
SCHEMBL6455028 0.70 TSHR (0.47) SMN1; SMN2ALDH1A1TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
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
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 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 (2 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 SMN1; SMN2 2301/4885ALDH1A1 2764/4885GAA 49/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 SMN1; SMN2 2145/4885ALDH1A1 2824/4885GAA 72/4885

“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.