SCHEMBL4586703

SCHEMBL4586703

Oc1cccc(CN2CCN(Cc3cccc(O)c3O)CC2)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.70
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
BACE1 P56817 1/20 0.47
FAAH O00519 1/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADAMTS4 O75173 1/20 0.44
EGFR P00533 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
FYN P06241 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2314927 0.91 MPO (0.59) MPOKDM4EALOX15HSD17B10CYP2C9
SCHEMBL2315714 0.89 MPO (0.62) MPOKDM4EALOX15BACE1HTT
SCHEMBL24672650 0.85 MPO (0.53) MPOKDM4EALOX15HSD17B10CYP2C9
SCHEMBL3967782 0.83 MPO (1.00) MPOKDM4EALOX15BACE1FAAH
SCHEMBL9336197 0.82 MPO (0.49) MPOKDM4EALOX15HSD17B10CYP2C9
SCHEMBL30275949 0.81 KDM4E (0.56) MPOKDM4EALOX15HSD17B10CYP2C9
Hydrochloric Acid SCHEMBL9252817 0.81 MPO (0.47) MPOKDM4EALOX15HSD17B10CYP2C9
SCHEMBL14598909 0.79 CYP2D6 (0.58) MPOALOX15CYP2C9ALDH1A1LMNA
SCHEMBL18754072 0.78 L3MBTL1 (0.54) KDM4EHTTPKMALDH1A1LMNA
SCHEMBL9388542 0.78 MPO (0.88) MPOKDM4EALOX15BACE1FAAH

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-1366015-A4 BENZENE-1 2-DIOL MANNICH BASES LIGANDS POLYMERS AND METHOD OF SELECTIVE METAL IONS REMOVAL TECH RESOURCES PTY LTD (AU) 2008-03-26 EP claimed
EP-1366015-A1 BENZENE-1 2-DIOL MANNICH BASES LIGANDS POLYMERS AND METHOD OF SELECTIVE METAL IONS REMOVAL TECHNOLOGICAL RESOURCES PTY. LTD. (AU) 2003-12-03 EP claimed
WO-2002070456-A1 BENZENE-1 2-DIOL MANNICH BASES LIGANDS POLYMERS AND METHOD OF SELECTIVE METAL IONS REMOVAL TECHNOLOGICAL RESOURCES PTY LIMITED (AU) 2002-09-12 WO claimed
EP-1366015-A4 BENZENE-1 2-DIOL MANNICH BASES LIGANDS POLYMERS AND METHOD OF SELECTIVE METAL IONS REMOVAL TECH RESOURCES PTY LTD (AU) 2008-03-26 EP disclosed
US-20040138488-A1 Benzene-1 2-diol mannich bases ligands polymers and method of selective metal ions removal TECHNOLOGICAL RESOURCES PTY LTD. (AU) 2004-07-15 US disclosed
EP-1366015-A1 BENZENE-1 2-DIOL MANNICH BASES LIGANDS POLYMERS AND METHOD OF SELECTIVE METAL IONS REMOVAL TECHNOLOGICAL RESOURCES PTY. LTD. (AU) 2003-12-03 EP disclosed
WO-2002070456-A1 BENZENE-1 2-DIOL MANNICH BASES LIGANDS POLYMERS AND METHOD OF SELECTIVE METAL IONS REMOVAL TECHNOLOGICAL RESOURCES PTY LIMITED (AU) 2002-09-12 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 (1 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-20040138488-A1 Benzene-1 2-diol mannich bases ligands polymers and method of selective metal ions removal HRH4, PCNA, HLCS MPO 3463/4885KDM4E 545/4885ALOX15 1650/4885

“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.