SCHEMBL1263178

SCHEMBL1263178

O=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.41
SLC1A1 P43005 3/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 3/20 0.40
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL19970649 1.00 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL2562479 1.00 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1561831 1.00 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL3751041 1.00 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL4833427 0.96 CA1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL5999732 0.96 CA1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL23292518 0.96 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL2290678 0.96 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL1479599 0.96 CA1 (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL1674203 0.96 CA1 (0.44) CA1CA2CA7CA9KMT2A

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-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 US claimed
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-19 US claimed
CN-114409655-A 3 ', 4' -unsaturated ribose C-nucleoside analogue and preparation method thereof 郑州大学 2022-04-29 CN disclosed
EP-1913011-B1 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS INC (US) 2016-11-02 EP disclosed
US-8552176-B2 Glycosylated chlorambucil analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-10-08 US disclosed
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-19 US disclosed
US-7893224-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US disclosed
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-17 US disclosed
US-7632932-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-15 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
EP-1913011-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2008-04-23 EP disclosed
EP-1828215-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
US-20070185063-A1 Seven-membered ring nucleosides IDENIX PHARMACEUTICALS, INC. 2007-08-09 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
WO-2007025043-A2 SEVEN-MEMBERED RING NUCLEOSIDES IDENIX PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
WO-2006112872-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 US disclosed
US-4021542-A Derivatives of hydrazino-monosaccharides and aldohexoses which are useful as intermediates for preparing compounds or as compounds which lower the uric acid BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-05-03 US 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 (6 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-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE DUT, NOP58, DPYD CA1 2500/4885CA2 3028/4885CA7 3616/4885
US-20120094946-A1 GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF CD22, UGGT1, UGCG CA1 1881/4885CA2 2609/4885CA7 552/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT CA1 3865/4885CA2 3670/4885CA7 3768/4885
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT CA1 3260/4885CA2 2656/4885CA7 3222/4885
US-20070185063-A1 Seven-membered ring nucleosides NSUN2, NSUN3, HAVCR2 CA1 4851/4885CA2 4878/4885CA7 3111/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT CA1 3260/4885CA2 2656/4885CA7 3222/4885

“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.