SCHEMBL5859596

SCHEMBL5859596

CC1([N+](=O)[O-])Oc2ccc(COC(=O)OCc3ccc4c(c3)OC(C)([N+](=O)[O-])O4)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
HTR2A P28223 1/20 0.41
HTT P42858 4/20 0.40
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 2/20 0.36
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
TLR3 O15455 2/20 0.34
PDE1C Q14123 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL130857 0.82 ALOX15 (0.38) HTTPOLBSMN1; SMN2ALOX15ALOX12
SCHEMBL2298411 0.81 TLR3 (0.34) CYP3A4HTTALOX15ALOX12TLR3
SCHEMBL1428264 0.71 CYP1A2 (0.36)
SCHEMBL37664 0.69 HTR2A (0.62) HTR2AHTTRAB9A
SCHEMBL2840091 0.69 HTR2A (0.58) CYP3A4HTR2AHTTPOLBSMN1; SMN2
SCHEMBL7203836 0.67 RAB9A (0.60) HTTPOLBPKMLMNAALOX15
SCHEMBL6141153 0.66 HTR2A (0.59) HTR2AHTTPOLBSMN1; SMN2LMNA
SCHEMBL32690826 0.66 HTR2A (0.55) HTR2AHTTPOLBSMN1; SMN2RAB9A
SCHEMBL669310 0.65 CYP3A4 (0.67) CYP3A4HTTSMN1; SMN2PKMMEN1
SCHEMBL6645015 0.64 RAB9A (0.61) HTR2AHTTMEN1KMT2ANPC1

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
US-20160075680-A1 MODIFIED SOLID SUPPORT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES FUNDACION IMDEA NANOCIENCIA (ES) 2016-03-17 US claimed
EP-2992002-A1 MODIFIED SOLID SUPPORT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES Fundación Imdea Nanociencia (ES) 2016-03-09 EP claimed
WO-2014177533-A1 MODIFIED SOLID SUPPORT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES FUNDACIÓN IMDEA NANOCIENCIA (ES) 2014-11-06 WO claimed
EP-2799443-A1 Modified solid support for the synthesis of oligonucleotides Fundación Imdea Nanociencia (ES) 2014-11-05 EP claimed
EP-1091972-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2001-04-18 EP claimed
WO-2000001711-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2000-01-13 WO claimed
US-20160075680-A1 MODIFIED SOLID SUPPORT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES FUNDACION IMDEA NANOCIENCIA (ES) 2016-03-17 US disclosed
EP-2992002-A1 MODIFIED SOLID SUPPORT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES Fundación Imdea Nanociencia (ES) 2016-03-09 EP disclosed
WO-2014177533-A1 MODIFIED SOLID SUPPORT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES FUNDACIÓN IMDEA NANOCIENCIA (ES) 2014-11-06 WO disclosed
EP-2799443-A1 Modified solid support for the synthesis of oligonucleotides Fundación Imdea Nanociencia (ES) 2014-11-05 EP disclosed
US-7135564-B1 Reusable solid support for oligonucleotide synthesis UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2006-11-14 US disclosed
EP-0877751-B1 LINKER ARM FOR SOLID SUPPORT OLIGONUCLEOTIDE SYNTHESIS AND PROCESS FOR PRODUCTION THEREOF UNIV TECHNOLOGIES INT (CA) 2003-10-15 EP disclosed
EP-0876390-B1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR USE THEREOF UNIV TECHNOLOGIES INT (CA) 2002-06-12 EP disclosed
US-6043353-A FOR SOLID PHASE SYNTHESIS UNIVERSITY TECHNOLOGIES INTERNATIONAL, INC. (CA) 2000-03-28 US disclosed
US-6015895-A REACTING A LINKER COMPOUND WITH A HYDROXY GROUP OF A NUCLEOSIDE AND A SOLID SUPPORT CAPABLE OF ESTERIFICATION; LINKER IS STABILE AGAINST SPONTANEOUS HYDROLYSIS AND EASILY CLEAVED WHEN NECESSARY UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2000-01-18 US disclosed
WO-2000001711-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2000-01-13 WO disclosed
EP-0877751-A1 LINKER ARM FOR SOLID SUPPORT OLIGONUCLEOTIDE SYNTHESIS AND PROCESS FOR PRODUCTION THEREOF UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 1998-11-18 EP disclosed
EP-0876390-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR USE THEREOF UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 1998-11-11 EP disclosed
WO-1997023496-A1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR USE THEREOF UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 1997-07-03 WO disclosed
WO-1997023497-A1 LINKER ARM FOR SOLID SUPPORT OLIGONUCLEOTIDE SYNTHESIS AND PROCESS FOR PRODUCTION THEREOF UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 1997-07-03 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-20160075680-A1 MODIFIED SOLID SUPPORT FOR THE SYNTHESIS OF OLIGONUCLEOTIDES POLR2H, POLRMT, POLR2E CYP3A4 4218/4885HTR2A 4597/4885HTT 2578/4885

“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.