SCHEMBL4094176

SCHEMBL4094176

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.36
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MARS2 Q96GW9 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CXCR3 P49682 1/20 0.34
HTR2A P28223 1/20 0.33
THRB P10828 1/20 0.33
MMP2 P08253 1/20 0.32
RPLP1 P05386 1/20 0.32
RPLP0 P05388 1/20 0.32
RPS17 P08708 1/20 0.32

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
SCHEMBL9906217 0.82 CCR3 (0.39) MAPTALDH1A1EPHX1KDM4ELMNA
Alcohol SCHEMBL4094172 0.79 EPHX1 (0.37) EPHX1KDM4ELMNASMN1; SMN2TSHR
SCHEMBL6986202 0.70 CHRNA7 (0.33) HTR2A
SCHEMBL6984191 0.67 CHRNA7 (0.43)
SCHEMBL6985396 0.67 HTR1A (0.43)
SCHEMBL699498 0.65 EPHX1 (0.44) MAPTALDH1A1EPHX1LMNAMEN1
SCHEMBL8685241 0.65 ALDH1A1 (0.48) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL6985561 0.65 HTR1A (0.34)
SCHEMBL4097981 0.64 ALDH1A1 (0.41) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1299034 0.63 ALDH1A1 (0.49) MAPTALDH1A1EPHX1KDM4EMEN1

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 7 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-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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
EP-2004642-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (Canada) Inc. (CA) 2008-12-24 EP 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 MAPT 3956/4885ALDH1A1 2764/4885EPHX1 4043/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 MAPT 3836/4885ALDH1A1 2824/4885EPHX1 3965/4885

“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.