SCHEMBL2720695

SCHEMBL2720695

COC(C)[C@@]1(CO)O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ GSTP1 P09211 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ HTT P42858 3/20 0.32
▸ BCHE P06276 3/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ATM Q13315 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
SCHEMBL17356766 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1GSTP1IDO1
SCHEMBL25967806 0.84 KMT2A (0.38) KMT2AMEN1ALDH1A1GSTP1IDO1
SCHEMBL25967804 0.83 MEN1 (0.35) KMT2AMEN1ALDH1A1GSTP1IDO1
SCHEMBL2720724 0.83 ALDH1A1 (0.32) KMT2AMEN1ALDH1A1GSTP1IDO1
SCHEMBL12582783 0.80 GLB1 (0.30) —
SCHEMBL21085574 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1IDO1HTT
SCHEMBL25911629 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1IDO1HTT
SCHEMBL20484797 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1IDO1HTT
SCHEMBL1059333 0.80 KMT2A (0.37) KMT2AMEN1ALDH1A1IDO1HTT
SCHEMBL2311319 0.79 MEN1 (0.35) KMT2AMEN1ALDH1A1GSTP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088746-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-01-03 — — US disclosed
US-8030467-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2011-10-04 — — US disclosed
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2010-07-22 — — US disclosed
US-7750131-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-07-06 — — US disclosed
US-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2010-05-13 — — US disclosed
US-7666854-B2 Bis-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2010-02-23 — — US disclosed
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-07-30 — — US disclosed
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2009-06-18 — — US disclosed
US-7547684-B2 5′-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2009-06-16 — — US disclosed
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC 2007-12-13 — — 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 (5 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-20100121045-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT KMT2A 1178/4885MEN1 1215/4885ALDH1A1 3035/4885
US-20090156792-A1 BIS-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NSUN2, ADAR, POLRMT KMT2A 1178/4885MEN1 1215/4885ALDH1A1 3035/4885
US-20100184966-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR KMT2A 1432/4885MEN1 2680/4885ALDH1A1 3273/4885
US-20090192302-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR KMT2A 1432/4885MEN1 2680/4885ALDH1A1 3273/4885
US-20070287831-A1 5'-MODIFIED BICYCLIC NUCLEIC ACID ANALOGS NT5C3B, NSUN2, ADAR KMT2A 1432/4885MEN1 2680/4885ALDH1A1 3273/4885

“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.

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