SCHEMBL4097981

SCHEMBL4097981

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MARS2 Q96GW9 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 3/20 0.36
RPLP1 P05386 1/20 0.36
RPLP0 P05388 1/20 0.36
RPS17 P08708 1/20 0.36
RPSA P08865 1/20 0.36
RPS2 P15880 1/20 0.36
RPL35A P18077 1/20 0.36
RPL7 P18124 1/20 0.36
RPL17 P18621 1/20 0.36
RPS4Y1 P22090 1/20 0.36
RPS3 P23396 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
SCHEMBL9906223 0.80 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2LMNATSHRCYP2C19
Alcohol SCHEMBL4097978 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL8933772 0.72 SIGMAR1 (0.52) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL19157365 0.72 ADRB2 (0.39) ALDH1A1CYP3A4SMN1; SMN2LMNATSHR
SCHEMBL2374452 0.71 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2LMNAMARS2
SCHEMBL7263803 0.68 ALDH1A1 (0.53) ALDH1A1CYP3A4SMN1; SMN2LMNAMARS2
SCHEMBL8543345 0.67 TSHR (0.50) ALDH1A1SMN1; SMN2LMNATSHRCYP2C19
SCHEMBL1299034 0.65 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTMEN1
SCHEMBL651374 0.65 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTMEN1
SCHEMBL28592383 0.65 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTMEN1

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 ALDH1A1 2764/4885CYP3A4 4555/4885SMN1; SMN2 2301/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 ALDH1A1 2824/4885CYP3A4 4568/4885SMN1; SMN2 2145/4885

“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.