SCHEMBL2397708

SCHEMBL2397708

O=C(OCc1c2ccccc2cc2ccccc12)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.42
EPHX1 P07099 1/20 0.42
MGLL Q99685 1/20 0.42
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6277355 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL6394617 0.82 HTR2A (0.52) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL6395093 0.81 HTR2A (0.62) HTR2AMAPTALDH1A1KDM4EGAA
SCHEMBL1714950 0.79 HTR2A (0.70) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL6652016 0.78 HTR2A (0.55) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL7463242 0.78 HTR2A (0.58) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL6648115 0.78 PTPN7 (0.57) HTR2ABCL9CTNNB1MAPTALDH1A1
SCHEMBL14277073 0.78 EPHX1 (0.56) HTR2AALDH1A1KDM4EGAAMEN1
SCHEMBL120371 0.77 HTR2A (0.49) HTR2AMAPTALDH1A1KDM4EGAA
SCHEMBL5827968 0.77 HTR2A (0.80) HTR2ABCL9CTNNB1ALDH1A1GAA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065317-A1 COLOUR FORMING COMPOSITIONS DATALASE LTD. (GB) 2020-04-02 WO disclosed
WO-2020065315-A1 COLOUR FORMING COMPOSITION DATALASE LTD. (GB) 2020-04-02 WO disclosed
WO-2020065318-A1 COLOUR FORMING COMPOSITION DATALASE LTD. (GB) 2020-04-02 WO disclosed
WO-2020065320-A1 COLOUR FORMING COMPONENTS AND COMPOSITIONS DATALASE LTD. (GB) 2020-04-02 WO disclosed
WO-2020065321-A1 COLOUR FORMING COMPOSITIONS DATALASE LTD. (GB) 2020-04-02 WO disclosed
US-9671396-B2 Solid substrate comprising array of dendrons and methods for using the same PARK JOON WON (KR) 2017-06-06 US disclosed
US-9389227-B2 Solid substrate comprising array of dendrons and methods for using the same POSCO (KR) 2016-07-12 US disclosed
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
US-9175335-B2 Biomolecule interaction using atomic force microscope POSCO (KR) 2015-11-03 US disclosed
US-8957212-B2 Photobase generator WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-17 US disclosed
US-20080113353-A1 Cantilevers with fixed end and free end modified by dendron POSTECH FOUNDATION (KR) 2008-05-15 US disclosed
EP-1920249-A2 BIOMOLECULE INTERACTION USING ATOMIC FORCE MICROSCOPE Pohang University of Science and Technology (KR) 2008-05-14 EP disclosed
WO-2007135483-A2 BIOMOLECULE INTERACTION USING ATOMIC FORCE MICROSCOPE POHANG UNIVERSITY OF SCIENCE AND TECHNOLOGY (US) 2007-11-29 WO disclosed
US-20070128623-A1 Cantilevers with fixed end and free end modified by dendron POSTECH FOUNDATION (KR) 2007-06-07 US disclosed
WO-2006016787-A1 CANTILEVER FOR ATOMIC FORCE MICROSCOPE, AND METHOD OF MEASURING BIOMOLECULE INTERACTION USING THE SAME POSTECH FOUNDATION (KR) 2006-02-16 WO disclosed
US-20050037413-A1 functionalized substrates bound to layers of dendrimers and to target-specific ligands, used in combinatorial chemistry, protein, nucleic acid or nucleic acid/peptide hybridization detection; medical diagnosis POSCO (KR) 2005-02-17 US disclosed
EP-1170287-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORP (JP) 2003-12-03 EP disclosed
US-6617461-B2 Cyclizing an optically active 4-substituted amino-2-halobutyric acid containing substituted oxycarbonyl or sulfonyl type protective group in presence of a base KANEKA CORPORATION (JP) 2003-09-09 US disclosed
US-20030045730-A1 Process for preparation of optically active n-substituted azetidine-2-carboxylic acids KANEKA CORPORATION (JP) 2003-03-06 US disclosed
EP-1170287-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE N-SUBSTITUTED AZETIDINE-2-CARBOXYLIC ACIDS KANEKA CORPORATION (JP) 2002-01-09 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-20030045730-A1 Process for preparation of optically active n-substituted azetidine-2-carboxylic acids NISCH, ADCY9, ALAD HTR2A 818/4885BCL9 1834/4885CTNNB1 4610/4885

“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.