SCHEMBL9906216

SCHEMBL9906216

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR3 P51677 2/20 0.37
CYP1A2 P05177 1/20 0.36
EPHX1 P07099 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
SCHEMBL13722427 0.88 LMNA (0.42) TSHRLMNALOXL2ALDH1A1POLB
SCHEMBL8541579 0.76 KMT2A (0.49) TSHRALDH1A1POLBMAPTKMT2A
SCHEMBL9906217 0.75 CCR3 (0.39) TSHRLMNALOXL2ALDH1A1MAPT
SCHEMBL4087302 0.75 LMNA (0.42) TSHRLMNALOXL2ALDH1A1POLB
Alcohol SCHEMBL4094172 0.74 EPHX1 (0.37) TSHRLMNALOXL2KMT2AMEN1
SCHEMBL1023274 0.70 TSHR (0.57) TSHRLMNALOXL2ALDH1A1POLB
SCHEMBL23879797 0.70 IRAK4 (0.41) LMNA
Paranitrobenzyl Alcohol SCHEMBL114620 0.68 TSHR (0.69) TSHRLOXL2ALDH1A1POLBCYP2C19
SCHEMBL8188219 0.68 TSHR (0.59) TSHRLMNALOXL2ALDH1A1POLB
SCHEMBL10785716 0.68 TSHR (0.53) TSHRLMNALOXL2ALDH1A1POLB

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 10 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
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 TSHR 519/4885LMNA 354/4885LOXL2 1497/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 TSHR 624/4885LMNA 338/4885LOXL2 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.