SCHEMBL5804589

SCHEMBL5804589

O=C(CBr)c1ccc(O)cc1.[NaH]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.95
GSK3B P49841 9/20 0.64
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ABL1 P00519 1/20 0.56
POLB P06746 1/20 0.56
ALPI P09923 1/20 0.56
GAA P10253 1/20 0.56
ALPG P10696 1/20 0.56
APEX1 P27695 1/20 0.56
CASP3 P42574 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56
MCL1 Q07820 1/20 0.56
RIN1 Q13671 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL79354 0.98 PTPN1 (1.00) PTPN1GSK3BNPC1RAB9AKDM4E
SCHEMBL205280 0.87 GSK3B (0.80) PTPN1GSK3BNPC1RAB9A
4-Hydroxyacetophenone SCHEMBL4781559 0.87 PTPN1 (0.80) PTPN1GSK3BNPC1RAB9AKDM4E
SCHEMBL689331 0.80 GSK3B (0.83) PTPN1GSK3BRAB9AKDM4EALDH1A1
SCHEMBL28594745 0.80 GSK3B (0.70) PTPN1GSK3BALDH1A1ESR1ESR2
SCHEMBL27665801 0.79 PTPN1 (0.68) PTPN1NPC1RAB9AKDM4EALDH1A1
SCHEMBL247615 0.78 GSK3B (0.70) PTPN1GSK3BALDH1A1
SCHEMBL70930 0.78 GSK3B (1.00) PTPN1GSK3B
SCHEMBL9909658 0.78 GSK3B (0.67) PTPN1GSK3BKDM4EALDH1A1ABL1
SCHEMBL3987484 0.77 NPC1 (0.65) PTPN1NPC1RAB9AKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006085859-A1 BIOCIDAL COMPOSITIONS STOCKEL RICHARD F (US) 2006-08-17 WO disclosed
US-7074459-B2 Method for preserving wood BRIDGEWATER INTELLECTUAL PROPERTIES LLC 2006-07-11 US disclosed
US-20040234496-A1 Biocidal compositions STOCKEL RICHARD F (US) 2004-11-25 US disclosed
US-20040234492-A1 contacting the wood with a wood preserving aqueous emulsion containing anionic and cationic biocides that form complexes; nontoxic, synergistic, free of heavy metals BRIDGEWATER INTELLECTUAL PROPERTIES LLC 2004-11-25 US 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-20040234496-A1 Biocidal compositions MPO, MMP8, MMP9 PTPN1 2218/4885GSK3B 2229/4885NPC1 3455/4885
US-20040234492-A1 contacting the wood with a wood preserving aqueous emulsion containing anionic and cationic biocides that form complexes; nontoxic, synergistic, free of heavy metals MGAM, CMA1, MME PTPN1 2770/4885GSK3B 3138/4885NPC1 1822/4885

“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.