SCHEMBL464483

SCHEMBL464483

CCOC(OCCOC(C)=O)OCCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.48
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40

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
SCHEMBL1065760 0.91 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL1270603 0.82 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL652060 0.81 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10THRB
SCHEMBL13120306 0.80 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27503696 0.79 ALDH1A1 (0.52) ALDH1A1TSHRLMNAHSD17B10THRB
SCHEMBL8724209 0.77 THRB (0.58) ALDH1A1TSHRLMNAHSD17B10THRB
Acetic Acid SCHEMBL8454146 0.76 THRB (0.65) ALDH1A1TSHRLMNAHSD17B10THRB
SCHEMBL64593 0.75 ALDH1A1 (0.68) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL421799 0.75 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL6668046 0.75 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957223-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20130184328-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8354524-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-01-15 US disclosed
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-03-15 US disclosed
US-8017763-B2 Chemically modified oligonucleotides ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017762-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-7982030-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-07-19 US disclosed
US-20100292455-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS (US) 2010-11-18 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
US-7723509-B2 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed
US-20100076056-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 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 (9 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-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B ALDH1A1 2364/4885TSHR 2656/4885LMNA 3431/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA ALDH1A1 2103/4885TSHR 4453/4885LMNA 34/4885
US-20130184328-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ALDH1A1 1125/4885TSHR 1734/4885LMNA 3599/4885
US-20100292455-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 ALDH1A1 1745/4885TSHR 2206/4885LMNA 56/4885
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B ALDH1A1 3517/4885TSHR 1614/4885LMNA 2028/4885
US-20100076056-A1 MODIFIED iRNA AGENTS LDLR, RNASE1, SARNP ALDH1A1 2517/4885TSHR 2352/4885LMNA 10/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG ALDH1A1 1125/4885TSHR 1734/4885LMNA 3599/4885
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B ALDH1A1 3517/4885TSHR 1614/4885LMNA 2028/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 ALDH1A1 1923/4885TSHR 4147/4885LMNA 111/4885

“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.