SCHEMBL14929034

SCHEMBL14929034

CC[C@H]1O[C@@H](OC(=O)c2ccccc2)[C@](C)(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LGALS9 O00182 1/20 0.37
LGALS1 P09382 1/20 0.37
LGALS3 P17931 1/20 0.37
LGALS7; LGALS7B P47929 1/20 0.37
LMNA P02545 2/20 0.36
BCHE P06276 2/20 0.36
TSHR P16473 2/20 0.36
ABCB1 P08183 4/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL18561533 1.00 GAA (0.39) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL15908419 1.00 GAA (0.39) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL264538 1.00 GAA (0.39) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL15241392 0.90 LGALS9 (0.44) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL16647467 0.90 LGALS9 (0.44) GAAALDH1A1LGALS9LGALS1LGALS3
SCHEMBL14571165 0.88 ALDH1A1 (0.49) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL882168 0.88 ALDH1A1 (0.49) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL21418908 0.88 ALDH1A1 (0.49) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL21418911 0.88 ALDH1A1 (0.49) GAAALDH1A1LMNAKMT2AMAPT
SCHEMBL14853799 0.88 ALDH1A1 (0.49) GAAALDH1A1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX, INC. 2017-03-02 US disclosed
US-9428535-B2 Modified nucleosides, nucleotides, and nucleic acids, and uses thereof MODERNA THERAPEUTICS, INC. (US) 2016-08-30 US disclosed
US-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-16 US disclosed
US-20130115272-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF modeRNA Therapeutics (US) 2013-05-09 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 (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-20130123481-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 GAA 674/4885ALDH1A1 2620/4885LGALS9 855/4885
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 GAA 674/4885ALDH1A1 2620/4885LGALS9 855/4885

“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.