SCHEMBL9906217

SCHEMBL9906217

O=[N+]([O-])c1ccc(CC(O)c2cccc(C3OCCO3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.39
EPHX1 P07099 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.34
KCNJ1 P48048 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2A P28223 1/20 0.34
AKR1C3 P42330 1/20 0.34
CYP2C19 P33261 1/20 0.33
CXCR3 P49682 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
Alcohol SCHEMBL4094172 0.96 EPHX1 (0.37) CCR3EPHX1LOXL2KDM4EMEN1
SCHEMBL4094176 0.82 MAPT (0.37) EPHX1KDM4EALDH1A1MEN1KMT2A
SCHEMBL9906216 0.75 TSHR (0.43) CCR3EPHX1LOXL2ALDH1A1MEN1
SCHEMBL13722427 0.74 LMNA (0.42) CCR3LOXL2ALDH1A1MEN1KMT2A
SCHEMBL8541579 0.71 KMT2A (0.49) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL8543345 0.66 TSHR (0.50) LOXL2KDM4EALDH1A1TSHRLMNA
SCHEMBL6985396 0.66 HTR1A (0.43)
SCHEMBL9906223 0.66 SMN1; SMN2 (0.40) EPHX1LOXL2KDM4EALDH1A1MEN1
SCHEMBL1023274 0.65 TSHR (0.57) LOXL2ALDH1A1MEN1KMT2ATSHR
SCHEMBL699498 0.64 EPHX1 (0.44) EPHX1ALDH1A1MEN1KMT2ALMNA

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-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

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 CCR3 1142/4885EPHX1 4043/4885LOXL2 1497/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 CCR3 1242/4885EPHX1 3965/4885LOXL2 1957/4885

“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.