SCHEMBL6833864

SCHEMBL6833864

Oc1ccc(C=NCCN=Cc2ccc(O)cc2O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.59
CA2 P00918 5/20 0.59
KDM4E B2RXH2 2/20 0.59
BACE1 P56817 2/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 3/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53
EIF4H Q15056 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AMY1A P0DUB6 1/20 0.51
CA9 Q16790 4/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HSP90AA1 P07900 1/20 0.49
DHODH Q02127 1/20 0.46

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
SCHEMBL6882412 1.00 CA12 (0.59) CA12CA2KDM4EBACE1MEN1
SCHEMBL5391283 0.90 BACE1 (0.52) CA12CA2KDM4EBACE1MEN1
SCHEMBL5710786 0.90 BACE1 (0.52) CA12CA2KDM4EBACE1MEN1
SCHEMBL22111172 0.89 KMT2A (0.58) CA12CA2KDM4EBACE1MEN1
SCHEMBL5728715 0.87 BACE1 (0.50) CA12CA2KDM4EBACE1MEN1
SCHEMBL22111171 0.86 CA12 (0.50) CA12CA2KDM4EBACE1MEN1
SCHEMBL14666848 0.83 CA2 (0.59) CA12CA2KDM4EBACE1AMY1A
SCHEMBL30241961 0.83 CA2 (0.59) CA12CA2KDM4EBACE1AMY1A
SCHEMBL8756643 0.83 CA12 (0.54) CA12CA2KDM4EBACE1MEN1
SCHEMBL8756646 0.83 CA12 (0.54) CA12CA2KDM4EBACE1MEN1

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
WO-2013084098-A1 ELECTROCHEMICAL CELLS COMPRISING CHELATE LIGANDS BASF SE (DE) 2013-06-13 WO disclosed
US-20130149588-A1 ELECTROCHEMICAL CELLS COMPRISING CHELATE LIGANDS BASF SE (DE) 2013-06-13 US disclosed
US-6794526-B2 SALEN COMPOUNDS REACTED WITHOUT INTERMEDIATE ISOLATION WITH MAGNESIUM(II) SALT TO FORM THE MANGANESE COMPLEX CIBA SPECIALTY CHEMICALS CORPORATION 2004-09-21 US disclosed
US-6747102-B1 ETHYLENICALLY UNSATURATED MONOMERS ARE POLYMERIZED BY MEANS OF A FREE RADICAL POLYMERIZATION INITIATOR IN THE PRESENCE OF ORGANOMETALLIC COMPOUNDS HAVING A CONTROLLING EFFECT. BASF AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
US-20030100763-A1 Process for the preparation of manganese complexes of salen compounds CIBA SPECIALTY CHEMICALS CORP. 2003-05-29 US disclosed
EP-1299403-A1 PROCESS FOR THE PREPARATION OF MANGANESE COMPLEXES OF SALEN COMPOUNDS Ciba SC Holding AG (CH) 2003-04-09 EP disclosed
WO-2002002571-A1 PROCESS FOR THE PREPARATION OF MANGANESE COMPLEXES OF SALEN COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-01-10 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-20030100763-A1 Process for the preparation of manganese complexes of salen compounds SMN1; SMN2, SMARCC1, SMARCC2 CA12 1977/4885CA2 2579/4885KDM4E 309/4885

“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.