SCHEMBL735219

SCHEMBL735219

O=[N+]([O-])c1ccc(CCOP(=O)(O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
TSHR P16473 1/20 0.56
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KCNH2 Q12809 5/20 0.47
KCNJ1 P48048 1/20 0.46
IDO1 P14902 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL27339909 0.87 AKR1C3 (0.58) AKR1C3TSHRCA1CA2CES2
SCHEMBL5983483 0.86 AKR1C3 (0.56) AKR1C3TSHRCA1CA2KCNH2
SCHEMBL4989626 0.83 AKR1C3 (0.53) AKR1C3TSHRCA1CA2KCNH2
SCHEMBL8093259 0.83 AKR1C3 (0.61) AKR1C3TSHRCA1CA2CES2
SCHEMBL5983772 0.83 AKR1C3 (0.81) AKR1C3TSHRCA1CA2CES2
SCHEMBL4989634 0.81 AKR1C3 (0.50) AKR1C3TSHRCA1CA2KCNH2
SCHEMBL4985770 0.79 TSHR (0.58) AKR1C3TSHRKCNH2KCNJ1IDO1
SCHEMBL21820808 0.79 TSHR (0.63) AKR1C3TSHRKCNH2KCNJ1IDO1
SCHEMBL14204632 0.78 ACHE (0.53) AKR1C3TSHRCA1CA2KCNH2
SCHEMBL3656180 0.78 TSHR (0.62) AKR1C3TSHRKCNH2KCNJ1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9201067-B2 Size-controlled macromolecule POSCO (KR) 2015-12-01 US disclosed
EP-1664341-B1 SIZE-CONTROLLED MACROMOLECULE POSCO (KR) 2013-01-30 EP disclosed
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 US disclosed
US-7276598-B2 Phosphorylation reagents for improved processes to convert terminal hydroxyl groups of oligonucleotides into phosphate monoesters SIGMA-ALDRICH CO. (US) 2007-10-02 US disclosed
EP-1664341-A2 SIZE-CONTROLLED MACROMOLECULE Posco (KR) 2006-06-07 EP disclosed
WO-2005026191-A2 SIZE-CONTROLLED MACROMOLECULE POSCO (KR) 2005-03-24 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
US-20040230047-A1 Coupling phosphoramidites; phosphates removable in one deprotection step; solid phase synthesis PROLIGO, LLC (US) 2004-11-18 US disclosed
US-20030162957-A1 Protected deoxyadenosines and deoxyguanosines HONEYWELL INTERNATIONAL INC. 2003-08-28 US disclosed
WO-2002068437-A1 PROTECTED DEOXYADENOSINES AND DEOXYGUANOSINES HONEYWELL INTERNATIONAL, INC. (US) 2002-09-06 WO disclosed
US-6414137-B1 Selective solvent extraction for the purification of protected nucleosides ALLIEDSIGNAL INC. 2002-07-02 US disclosed
EP-1140957-A1 SELECTIVE SOLVENT EXTRACTION FOR THE PURIFICATION OF PROTECTED NUCLEOSIDES AlliedSignal Inc. (US) 2001-10-10 EP disclosed
WO-2000075154-A2 PROTECTED NUCLEOSIDES ALLIEDSIGNAL INC. (US) 2000-12-14 WO disclosed
WO-2000039138-A1 SELECTIVE SOLVENT EXTRACTION FOR THE PURIFICATION OF PROTECTED NUCLEOSIDES ALLIEDSIGNAL INC. (US) 2000-07-06 WO disclosed
EP-0777485-A4 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF UNIV TEMPLE (US) 1998-12-02 EP disclosed
EP-0777485-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 1997-06-11 EP disclosed
WO-1996008256-A1 2',5' PHOSPHOROTHIOATE/PHOSPHODIESTER OLIGOADENYLATES AND ANTIVIRAL USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1996-03-21 WO disclosed
US-5039796-A Process for 5'-phosphorylation of nucleic acids HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-13 US disclosed
EP-0195277-A1 Phosphorylation process and agent therefor HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-24 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 (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-20040230047-A1 Coupling phosphoramidites; phosphates removable in one deprotection step; solid phase synthesis DIMT1, RNGTT, ADAR AKR1C3 1381/4885TSHR 2080/4885CA1 2283/4885
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR AKR1C3 2130/4885TSHR 2956/4885CA1 2612/4885

“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.