SCHEMBL6654536

SCHEMBL6654536

CON=C(C(=O)NO)c1ccccc1OC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
SLC6A3 Q01959 3/20 0.37
PDE4B Q07343 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTPN1 P18031 3/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL6766217 0.89 TDP1 (0.40) TDP1KAT2BBAZ2BSLC6A3PDE4B
SCHEMBL6770014 0.81 TDP1 (0.41) TDP1KAT2BBAZ2BSLC6A3PDE4B
SCHEMBL8954773 0.80 DHFR (0.35) TDP1KAT2BBAZ2BSLC6A3KDM4E
SCHEMBL8370615 0.80 DHFR (0.35) TDP1KAT2BBAZ2BSLC6A3KDM4E
SCHEMBL7215176 0.79 KAT2B (0.40) TDP1KAT2BBAZ2BSLC6A3PDE4B
SCHEMBL7221126 0.78 TDP1 (0.37) TDP1KAT2BBAZ2BSLC6A3PDE4B
SCHEMBL8954676 0.78 TDP1 (0.44) TDP1KAT2BBAZ2BSLC6A3PDE4B
SCHEMBL7513173 0.76 TDP1 (0.42) TDP1KAT2BBAZ2BSLC6A3PDE4B
SCHEMBL9535725 0.76 KDM4E (0.44) TDP1KAT2BBAZ2BSLC6A3KDM4E
SCHEMBL8402440 0.76 TP53 (0.36) TDP1KAT2BBAZ2BSLC6A3PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846691-B1 Process for preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER CROPSCIENCE AG (DE) 2004-06-30 EP disclosed
US-6730799-B2 O-HYDROXYETHYL-O'-METHYL-BENZOFURANDIONE DIOXIMES ARE REARRANGED IN THE PRESENCE OF A DILUENT AND IN THE PRESENCE OF AN ACID OR A BASE BAYER AKTIENGESELLSCHAFT (DE) 2004-05-04 US disclosed
EP-1188753-B1 Intermediates in the preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER CROPSCIENCE AG (DE) 2003-09-24 EP disclosed
EP-0904268-B1 PROCESSES FOR PREPARING 3-(1-HYDROXYPHENYL-1-ALKOXIMINOMETHYL)DIOXAZINES BAYER CROPSCIENCE AG (DE) 2002-12-04 EP disclosed
US-20020169316-A1 Process for preparing 3-(1-hydroxyphenyl-1-alkoximinomethyl) dioxazines BAYER AKTIENGESELLSCHAFT (DE) 2002-11-14 US disclosed
US-6479675-B1 Processes for preparing 3-(1-hydroxyphenyl-1-alkoximinomethyl) dioxazines BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-6437153-B1 O-HYDROXYETHYL-O'-ALKYLBENZOFURANDIONE DIOXIMES REARRANGED IN THE PRESENCE OF A DILENT, AN ACID OR A BASE; FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
US-20020049319-A1 O-hydroxyethyl-o'-alkylbenzofurandione dioximes rearranged in the presence of a dilent, an acid or a base; fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-04-25 US disclosed
EP-1188753-A2 Intermediates in the preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER AG (DE) 2002-03-20 EP disclosed
US-6335454-B1 FUNGICIDE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
US-6150521-A Process for preparing 3-(1-hydroxyphenyl-1-alkoximinomethyl) dioxazines BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-6093837-A INTERMEDIATES FOR PREPARING COMPOUNDS HAVING FUNGICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-25 US disclosed
US-6005104-A INTERMEDIATES FOR PREPARING COMPOUNDS HAVING FUNGICIDAL PROPERTIES; PREPARED BY REARRANGING O-HYDROXYETHYL-O'-ALKYL-BENZOFURANDIONE DIOXIMES BAYER AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
EP-0904268-A1 PROCESSES FOR PREPARING 3-(1-HYDROXYPHENYL-1-ALKOXIMINOMETHYL)DIOXAZINES BAYER AG (DE) 1999-03-31 EP disclosed
EP-0846691-A1 Process for preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER AG (DE) 1998-06-10 EP disclosed
WO-1997046542-A1 PROCESSES FOR PREPARING 3-(1-HYDROXYPHENYL-1-ALKOXIMINOMETHYL)DIOXAZINES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 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-20020049319-A1 O-hydroxyethyl-o'-alkylbenzofurandione dioximes rearranged in the presence of a dilent, an acid or a base; fungicides DDT, CYP4Z1, CYP51A1 TDP1 546/4885KAT2B 4018/4885BAZ2B 2458/4885
US-20020169316-A1 Process for preparing 3-(1-hydroxyphenyl-1-alkoximinomethyl) dioxazines CYP4Z1, CYP4X1, CYP51A1 TDP1 478/4885KAT2B 4567/4885BAZ2B 3041/4885

“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.