SCHEMBL9906222

SCHEMBL9906222

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.44
IDO1 P14902 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 1/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL28629837 0.80 TSHR (0.58) TSHRGAALMNAIDO1LOXL2
SCHEMBL16367382 0.78 POLB (0.48) TSHRGAALMNAIDO1LOXL2
SCHEMBL6140986 0.78 TSHR (0.59) TSHRLMNAIDO1LOXL2AKR1C3
SCHEMBL9906223 0.77 SMN1; SMN2 (0.40) TSHRGAALMNAIDO1LOXL2
SCHEMBL8508291 0.77 ALDH1A1 (0.54) TSHRGAALMNAALDH1A1CYP2C19
SCHEMBL3837560 0.76 CA1 (0.47) TSHRALDH1A1KDM4ETDP1RECQL
Alcohol SCHEMBL4097978 0.76 ALDH1A1 (0.40) TSHRGAALMNAALDH1A1ADRB2
SCHEMBL13558573 0.76 POLB (0.35) ALDH1A1
SCHEMBL15137494 0.75 TSHR (0.56) TSHRIDO1LOXL2AKR1C3ALDH1A1
SCHEMBL15137488 0.75 TSHR (0.56) TSHRIDO1LOXL2AKR1C3ALDH1A1

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 TSHR 519/4885GAA 49/4885LMNA 354/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 TSHR 624/4885GAA 72/4885LMNA 338/4885

“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.