SCHEMBL409598

SCHEMBL409598

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.59
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
GAA P10253 2/20 0.56
PKM P14618 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.51
MGLL Q99685 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
PTPN7 P35236 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 1/20 0.47

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
SCHEMBL10062010 0.95 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL125510 0.95 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL763025 0.93 HTR2A (0.57) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL9223114 0.92 HTR2A (0.60) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL14495241 0.92 HTR2A (0.53) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL409084 0.92 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL4433836 0.92 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL13320017 0.92 BCL9 (0.54) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL22959846 0.92 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPKM
SCHEMBL1133822 0.92 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010867-A1 REVERSIBLE, COVALENT POLYNUCLEOTIDE CONDENSATION APPROACH FOR ENHANCED GENE DELIVERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-11 WO claimed
US-20210308323-A1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES ROCHAL INDUSTRIES, LLC (US) 2021-10-07 US claimed
EP-3283057-B1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES ROCHAL IND LLC (US) 2021-07-28 EP claimed
EP-3283057-A1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES Rochal Industries, LLC (US) 2018-02-21 EP claimed
WO-2016168196-A1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES ROCHAL INDUSTRIES, LLC (US) 2016-10-20 WO claimed
US-20160303281-A1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES ROCHAL INDUSTRIES, LLC (US) 2016-10-20 US claimed
US-12018122-B2 Method for producing silane-modified polymers MERZ+BENTELI AG (CH) 2024-06-25 US disclosed
WO-2024010867-A1 REVERSIBLE, COVALENT POLYNUCLEOTIDE CONDENSATION APPROACH FOR ENHANCED GENE DELIVERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-11 WO disclosed
US-11590259-B2 Composition and kits for pseudoplastic microgel matrices ROCHAL TECHNOLOGIES LLC (US) 2023-02-28 US disclosed
US-20210308323-A1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES ROCHAL INDUSTRIES, LLC (US) 2021-10-07 US disclosed
EP-3283057-B1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES ROCHAL IND LLC (US) 2021-07-28 EP disclosed
US-20160303281-A1 COMPOSITION AND KITS FOR PSEUDOPLASTIC MICROGEL MATRICES ROCHAL INDUSTRIES, LLC (US) 2016-10-20 US disclosed
US-20120064061-A1 ADHESIVE COMPOSITION COMPRISING TANNIN, POLY(ETHYLENE GLYCOL), AND WATER, LOWER ALCOHOL OR MIXTURE THEREOF INNOTHERAPY INC. (KR) 2012-03-15 US disclosed
US-7662908-B2 Process for the preparation of activated polythylene glycols RBA PHARMA INC. (CA) 2010-02-16 US disclosed
US-20080317810-A1 Methods and Compositions for Reducing Oxalate Concentrations OXTHERA, INC. 2008-12-25 US disclosed
US-20080139854-A1 Process for the preparation of activated polyethylene glycols RBA PHARMA INC. (CA) 2008-06-12 US disclosed
US-7351787-B2 Process for the preparation of activated polyethylene glycols BIOARTIFICIAL GEL TECHNOLOGIES, INC. (CA) 2008-04-01 US disclosed
EP-1755655-A2 METHODS AND COMPOSITIONS FOR REDUCING OXALATE CONCENTRATIONS OxThera, Inc., (US) 2007-02-28 EP disclosed
US-20070039874-A1 Membranes and methods of treating membranes GENERAL ELECTRIC COMPANY 2007-02-22 US disclosed
WO-2005110469-A2 METHODS AND COMPOSITIONS FOR REDUCING OXALATE CONCENTRATIONS OXTHERA, INC. (US) 2005-11-24 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-20120064061-A1 ADHESIVE COMPOSITION COMPRISING TANNIN, POLY(ETHYLENE GLYCOL), AND WATER, LOWER ALCOHOL OR MIXTURE THEREOF EPCAM, ICAM1, VCAM1 HTR2A 2734/4885BCL9 2620/4885CTNNB1 3530/4885
US-20080139854-A1 Process for the preparation of activated polyethylene glycols POLI, PMAIP1, PARG HTR2A 2498/4885BCL9 3781/4885CTNNB1 4280/4885

“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.