SCHEMBL6652948

SCHEMBL6652948

O=C(c1ccccc1)C(O)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.43
MDM2 Q00987 1/20 0.42
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40
PRMT1 Q99873 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4363316 0.81 TDP1 (0.48) CES2CES1LMNATDP1L3MBTL1
SCHEMBL10353222 0.79 TDP1 (0.47) CES2CES1LMNATDP1L3MBTL1
SCHEMBL3259340 0.79 CES2 (0.41) CES2CES1LMNACA2CA4
SCHEMBL11398006 0.78 PARP1 (0.49) TDP1TSHRMEN1NPC1POLB
SCHEMBL23706328 0.78 TDP1 (0.45) CES2CES1LMNATDP1L3MBTL1
SCHEMBL4873699 0.78 TDP1 (0.45) CES2CES1LMNATDP1L3MBTL1
SCHEMBL10580248 0.78 TDP1 (0.45) CES2CES1LMNATDP1L3MBTL1
SCHEMBL571674 0.78 TDP1 (0.45) CES2CES1LMNATDP1L3MBTL1
SCHEMBL6081855 0.78 PGR (0.46) CES2CES1LMNATDP1L3MBTL1
SCHEMBL599311 0.78 TDP1 (0.45) CES2CES1LMNATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320488-A A kind of water phase one-pot synthesis method of 3-hydroxyflavone and its derivative 中国科学院成都生物研究所 2019-02-12 CN disclosed
CN-1179956-C Intermediate for preparing substituted dioxazine 2004-12-15 CN disclosed
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
CN-1082955-C Process for preparing 3- (1-hydroxyphenyl-1-alkoxyiminomethyl) dioxazines BAYER AG (DE) 2002-04-17 CN disclosed
US-6335454-B1 FUNGICIDE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
CN-1313283-A Intermediate for preparing substituted dioxazine BAYER AG (DE) 2001-09-19 CN 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
CN-1184811-A Process for preparing 3- (1-hydroxyphenyl-1-alkoxyiminomethyl) dioxazines BAYER AG (DE) 1998-06-17 CN 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 CES2 382/4885CES1 1178/4885LMNA 2892/4885

“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.