Sugi Predict

Sugi Predict / Compounds / SCHEMBL169480

SCHEMBL169480

SCHEMBL169480

COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](c4cccc5ccccc45)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ ERBB3 P21860 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ SLC6A1 P30531 2/20 0.34
▸ SLC6A11 P48066 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ADK P55263 1/20 0.33
▸ SLC5A1 P13866 1/20 0.32
▸ SLC5A2 P31639 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL169481 1.00 EGFR (0.35) EGFRERBB2ERBB3KDRPTK2
SCHEMBL6277830 0.90 SLC6A1 (0.33) SLC6A1SLC6A11ALDH1A1NPC1
SCHEMBL133759 0.90 SLC6A1 (0.33) SLC6A1SLC6A11ALDH1A1NPC1
SCHEMBL132699 0.85 SLC6A11 (0.38) SLC6A1SLC6A11KMT2AMEN1L3MBTL1
SCHEMBL135522 0.84 SLC6A11 (0.35) SLC6A1SLC6A11KMT2AMEN1SLC5A1
SCHEMBL169679 0.78 SLC5A2 (0.36) SLC6A1SLC6A11KMT2AMEN1KDM4E
SCHEMBL169678 0.78 SLC5A2 (0.36) SLC6A1SLC6A11KMT2AMEN1KDM4E
SCHEMBL6880054 0.78 SLC5A2 (0.36) SLC6A1SLC6A11KMT2AMEN1KDM4E
SCHEMBL131461 0.77 — —
SCHEMBL12386212 0.75 SLC6A11 (0.37) SLC6A1SLC6A11KMT2AMEN1SLC5A1

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
US-7060809-B2 LNA compositions and uses thereof EXIQON A/S (DE) 2006-06-13 — — US disclosed
US-20040219565-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest EXIQON A/S (DK) 2004-11-04 — — US disclosed
US-20030224377-A1 Novel LNA compositions and uses thereof QIAGEN GMBH (DE) 2003-12-04 — — 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 (3 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-20040219565-A1 Oligonucleotides useful for detecting and analyzing nucleic acids of interest UPF1, DCLRE1B, SNRPA1 EGFR 1387/4885ERBB2 1438/4885ERBB3 535/4885
US-20030224377-A1 Novel LNA compositions and uses thereof RNGTT, NCL, NSUN2 EGFR 3574/4885ERBB2 3151/4885ERBB3 1935/4885
US-20120157333-A1 OLIGONUCLEOTIDES USEFUL FOR DETECTING AND ANALYZING NUCLEIC ACIDS OF INTEREST UPF1, DCLRE1B, SNRPA1 EGFR 1387/4885ERBB2 1438/4885ERBB3 535/4885

“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.