SCHEMBL2771845

SCHEMBL2771845

COc1ccc(COCC[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM3 P20309 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TK1 P04183 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CASR P41180 2/20 0.40
SLC6A1 P30531 2/20 0.39
SLC6A11 P48066 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
SCHEMBL8752216 0.96 L3MBTL1 (0.45) CA1CA2L3MBTL1TDP1CHRM3
SCHEMBL4186639 0.88 CA1 (0.49) CA1CA2CHRM3MEN1KMT2A
SCHEMBL4186642 0.88 CA1 (0.49) CA1CA2CHRM3MEN1KMT2A
SCHEMBL2769924 0.85 L3MBTL1 (0.42) CA1CA2L3MBTL1TDP1CHRM3
SCHEMBL8717149 0.85 CA1 (0.53) CA1CA2L3MBTL1TDP1CHRM3
SCHEMBL13377795 0.85 CA1 (0.41) CA1CA2L3MBTL1TDP1CHRM3
SCHEMBL13377805 0.83 CHRM3 (0.42) CA1CA2L3MBTL1TDP1CHRM3
SCHEMBL13460348 0.83 CHRM3 (0.42) CA1CA2L3MBTL1TDP1CHRM3
SCHEMBL24114710 0.83 L3MBTL1 (0.60) CA1CA2L3MBTL1TDP1CHRM3
SCHEMBL7039897 0.82 TK1 (0.37) MEN1KMT2ATK1ALDH1A1CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363640-B1 NUCLEIC ACID DERIVATIVES BIO RAD LABORATORIES (US) 2010-04-28 EP disclosed
EP-1363640-B1 NUCLEIC ACID DERIVATIVES BIO RAD LABORATORIES (US) 2010-04-28 EP disclosed
US-7683164-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2010-03-23 US disclosed
US-20090005334-A1 cyclic moieties which enable the formation of stable hybrids with natural nucleic acids and can therefore be efficiently used in a wide variety of applications and, in particular, in antisense therapy BIO-RAD LABORATORIES INC. (US) 2009-01-01 US disclosed
US-7348148-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2008-03-25 US disclosed
US-7348148-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20060148751-A1 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2006-07-06 US disclosed
US-7034131-B2 Nucleic acid derivatives BIO-RAD LABORATORIES INC. (US) 2006-04-25 US disclosed
US-20030191074-A1 Nucleic acid derivatives BIO-RAD LABORATORIES INC. 2003-10-09 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-20030191074-A1 Nucleic acid derivatives NSUN2, POLRMT, ADAR CA1 1765/4885CA2 2025/4885L3MBTL1 75/4885
US-20060148751-A1 Nucleic acid derivatives NSUN2, POLRMT, ADAR CA1 1925/4885CA2 2173/4885L3MBTL1 73/4885
US-20090005334-A1 cyclic moieties which enable the formation of stable hybrids with natural nucleic acids and can therefore be efficiently used in a wide variety of applications and, in particular, in antisense therapy POLRMT, NSUN2, RNGTT CA1 1496/4885CA2 1731/4885L3MBTL1 117/4885

“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.