SCHEMBL8680266

SCHEMBL8680266

COc1c(O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.64
GPR35 Q9HC97 6/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TTR P02766 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
RECQL P46063 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA1 P00915 1/20 0.53

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
SCHEMBL31447509 1.00 TPMT (0.64) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL225343 0.87 ALDH1A1 (0.50) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL13557412 0.84 TPMT (0.66) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL4069709 0.82 TPMT (0.64) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL23499773 0.82 ALDH1A1 (0.51) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL190398 0.82 ERN1 (0.55) TPMTGPR35KMT2AMEN1ALDH1A1
Methyl Alcohol SCHEMBL28154630 0.82 ERN1 (0.51) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL8680003 0.81 GPR35 (0.54) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL9817273 0.81 GPR35 (0.54) TPMTGPR35KMT2AMEN1ALDH1A1
SCHEMBL2086471 0.81 TPMT (0.62) TPMTGPR35KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998059016-A1 COMPOSITION AND METHOD FOR INHIBITING RADICAL POLYMERISATION OF ETHYLENICALLY UNSATURATED AROMATIC MONOMERS RHODIA CHIMIE (FR) 1998-12-30 WO claimed
CN-106070208-B A kind of application of 3,5- dinitros guaiacol salt plant growth regulator 青岛科技大学 2018-06-29 CN disclosed
CN-106070208-A A kind of application of 3,5 dinitro guaiacol salt plant growth regulators 青岛科技大学 2016-11-09 CN disclosed
US-9359391-B2 Selective C—O bond cleavage of oxidized lignin and lignin-type materials into simple aromatic compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-9359391-B2 Selective C—O bond cleavage of oxidized lignin and lignin-type materials into simple aromatic compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 US disclosed
US-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 US disclosed
WO-2015138563-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 WO disclosed
WO-1998059016-A1 COMPOSITION AND METHOD FOR INHIBITING RADICAL POLYMERISATION OF ETHYLENICALLY UNSATURATED AROMATIC MONOMERS RHODIA CHIMIE (FR) 1998-12-30 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-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS AOC2, AOX1, AOC3 TPMT 4270/4885GPR35 4733/4885KMT2A 951/4885

“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.