SCHEMBL14929138

SCHEMBL14929138

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ ABCB1 P08183 6/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LGALS9 O00182 1/20 0.38
▸ LGALS1 P09382 1/20 0.38
▸ LGALS3 P17931 1/20 0.38
▸ LGALS7; LGALS7B P47929 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ BCHE P06276 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL26268684 0.87 ABCB1 (0.47) GAAABCB1
SCHEMBL17861870 0.80 HTR3E (0.37) GAAPTGES2LGALS9LGALS1LGALS3
SCHEMBL26823569 0.80 GAA (0.43) GAAPTGES2ABCB1TSHRLGALS9
SCHEMBL26823554 0.80 GAA (0.43) GAAPTGES2ABCB1TSHRLGALS9
SCHEMBL26823559 0.80 GAA (0.43) GAAPTGES2ABCB1TSHRLGALS9
SCHEMBL14853753 0.77 ABCB1 (0.45) GAAABCB1
SCHEMBL26824107 0.77 GAA (0.42) GAAPTGES2ABCB1TSHRKMT2A
SCHEMBL4283223 0.76 ABCB1 (0.44) GAAABCB1
SCHEMBL4283219 0.76 ABCB1 (0.44) GAAABCB1
SCHEMBL22476640 0.75 ABCB1 (0.40) GAAABCB1

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 674/4885PTGES2 4390/4885ABCB1 1415/4885
US-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 GAA 674/4885PTGES2 4390/4885ABCB1 1415/4885

“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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