SCHEMBL132697

SCHEMBL132697

COc1ccc(COC[C@@]2(CO)O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHRM3 P20309 2/20 0.32
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NAAA Q02083 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CALM1 P0DP23 1/20 0.30

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
SCHEMBL14511260 0.92 MEN1 (0.41) MEN1KMT2ASLC5A1SLC5A2GLA
SCHEMBL132660 0.92 MEN1 (0.41) MEN1KMT2ASLC5A1SLC5A2GLA
SCHEMBL14511264 0.90 MEN1 (0.35) MEN1KMT2ACA1CA2GLA
SCHEMBL1059672 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1KDM4E
SCHEMBL19221818 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1KDM4E
SCHEMBL24371819 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1KDM4E
SCHEMBL18999217 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1KDM4E
SCHEMBL21063154 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1KDM4E
SCHEMBL13382976 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1KDM4E
SCHEMBL24498686 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1KDM4E

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-9464106-B2 Oligonucleotides useful for detecting and analyzing nucleic acids of interest EXIQON A/S (DK) 2016-10-11 US disclosed
US-20120157333-A1 OLIGONUCLEOTIDES USEFUL FOR DETECTING AND ANALYZING NUCLEIC ACIDS OF INTEREST EXIQON A/S (DK) 2012-06-21 US disclosed
EP-1446412-B1 NOVEL LNA COMPOSITIONS AND USES THEREOF EXIQON AS (DK) 2012-03-07 EP disclosed
US-20070117144-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest EXIQON A/S (DK) 2007-05-24 US disclosed
EP-1446412-A2 NOVEL LNA COMPOSITIONS AND USES THEREOF Exiqon A/S (DK) 2004-08-18 EP disclosed
US-20030224377-A1 Novel LNA compositions and uses thereof QIAGEN GMBH (DE) 2003-12-04 US disclosed
WO-2003020739-A2 NOVEL LNA COMPOSITIONS AND USES THEREOF EXIQON A/S (DK) 2003-03-13 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-20030224377-A1 Novel LNA compositions and uses thereof RNGTT, NCL, NSUN2 MEN1 1124/4885KMT2A 1689/4885CA1 3328/4885
US-20120157333-A1 OLIGONUCLEOTIDES USEFUL FOR DETECTING AND ANALYZING NUCLEIC ACIDS OF INTEREST UPF1, DCLRE1B, SNRPA1 MEN1 2069/4885KMT2A 2665/4885CA1 3519/4885

“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.