SCHEMBL5489962

SCHEMBL5489962

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
GAA P10253 1/20 0.51
KMT2A Q03164 3/20 0.48
PKM P14618 1/20 0.48
MGLL Q99685 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 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
SCHEMBL2597473 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL6819876 0.88 HTR2A (0.53) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL3559196 0.88 HTR2A (0.53) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL21097318 0.85 HTR2A (0.54) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL21097661 0.85 HTR2A (0.51) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL18757845 0.85 HTR2A (0.54) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL409598 0.85 HTR2A (0.59) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL2597423 0.84 BCL9 (0.54) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL5526504 0.83 HTR2A (0.58) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL25565815 0.83 HTR2A (0.47) HTR2ABCL9CTNNB1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191263-A1 Valency platform molecules comprising aminooxy groups LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-08-16 US disclosed
US-20060141597-A1 A conjugate of biologically active molecules e.g peptides, proteins, nucleic acids, hormones, lipids, antibodies, saccharides, epitopes, enzymes, drugs etc. and a polyoxyethylene containing aminoxy groups JONES DAVID S 2006-06-29 US disclosed
US-6951939-B2 Multivalent platform molecules comprising high molecular weight polyethylene oxide LA JOLLA PHARMACEUTICAL COMPANY (US) 2005-10-04 US disclosed
US-20040224366-A1 Valency platform molecules comprising aminooxy groups JONES DAVID S (US) 2004-11-11 US disclosed
US-20020110535-A1 Multivalent platform molecules comprising high molecular weight polyethylene oxide LA JOLLA PHARMACEUTICAL COMPANY 2002-08-15 US disclosed
EP-1183230-A1 VALENCY PLATFORM MOLECULES COMPRISING AMINOOXY GROUPS LA JOLLA PHARMACEUTICAL (US) 2002-03-06 EP disclosed
WO-2000075105-A1 VALENCY PLATFORM MOLECULES COMPRISING AMINOOXY GROUPS LA JOLLA PHARMACEUTICAL COMPANY (US) 2000-12-14 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 (4 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-20070191263-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 HTR2A 2645/4885BCL9 2121/4885CTNNB1 3298/4885
US-20020110535-A1 Multivalent platform molecules comprising high molecular weight polyethylene oxide TLR3, ACP1, TLR9 HTR2A 3304/4885BCL9 1120/4885CTNNB1 4178/4885
US-20060141597-A1 A conjugate of biologically active molecules e.g peptides, proteins, nucleic acids, hormones, lipids, antibodies, saccharides, epitopes, enzymes, drugs etc. and a polyoxyethylene containing aminoxy groups SHBG, DAO, DNPEP HTR2A 3032/4885BCL9 1706/4885CTNNB1 4160/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 HTR2A 2645/4885BCL9 2121/4885CTNNB1 3298/4885

“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.