SCHEMBL6655971

SCHEMBL6655971

CON=C1COc2ccc(C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP12 P39900 1/20 0.38
MAPT P10636 8/20 0.38
HTT P42858 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX12 P18054 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL428191 0.84 PIK3CA (0.42) KMT2AMAPTRAB9APIK3CAPIK3CB
SCHEMBL6653939 0.77 MIF (0.40) MEN1CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL18924655 0.77 MIF (0.40) MEN1CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL6656648 0.77 MIF (0.40) MEN1CYP1A2KMT2AMAPTSMN1; SMN2
SCHEMBL14661259 0.74 AAK1 (0.37)
SCHEMBL7671800 0.72 MAOB (0.44) ALDH1A1KDM4E
SCHEMBL7671794 0.72 MAOB (0.44) ALDH1A1KDM4E
SCHEMBL9411226 0.71 MAOB (0.39) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL14661318 0.70
SCHEMBL95448 0.69 MMP12 (0.51) MEN1CYP1A2CYP2C9KMT2AMMP12

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-0846691-B1 Process for preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER CROPSCIENCE AG (DE) 2004-06-30 EP 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
US-6335454-B1 FUNGICIDE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 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-0846691-A1 Process for preparation of 3-(1-hydroxyphenyl-1-alkoximinomethyl)dioxazines BAYER AG (DE) 1998-06-10 EP 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-20020049319-A1 O-hydroxyethyl-o'-alkylbenzofurandione dioximes rearranged in the presence of a dilent, an acid or a base; fungicides DDT, CYP4Z1, CYP51A1 MEN1 3691/4885CYP1A2 18/4885CYP2C9 29/4885

“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.