SCHEMBL14929374

SCHEMBL14929374

CCC1(CC)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(C)=O)C1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
NT5E P21589 1/20 0.39
P2RY2 P41231 6/20 0.37
P2RY12 Q9H244 4/20 0.37
SLC28A1 O00337 1/20 0.36
SLC28A2 O43868 1/20 0.36
SLC29A1 Q99808 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.36
P2RY4 P51582 2/20 0.36
P2RY6 Q15077 2/20 0.36
ENTPD2 Q9Y5L3 1/20 0.35
DUT P33316 1/20 0.35

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
SCHEMBL14946311 1.00 TDP1 (0.41) TDP1NT5EP2RY2P2RY12SLC28A1
SCHEMBL13834462 0.87 TDP1 (0.39) TDP1NT5EP2RY2P2RY12SLC28A1
SCHEMBL19861796 0.87 TDP1 (0.39) TDP1NT5EP2RY2P2RY12SLC28A1
SCHEMBL25400083 0.87 TDP1 (0.39) TDP1NT5EP2RY2P2RY12SLC28A1
SCHEMBL1097345 0.87 TDP1 (0.42) TDP1NT5EP2RY2P2RY12SLC28A1
SCHEMBL25400077 0.87 TDP1 (0.39) TDP1NT5EP2RY2P2RY12SLC28A1
SCHEMBL14946306 0.86 TK1 (0.44)
SCHEMBL11981102 0.86 TK1 (0.44)
SCHEMBL14702146 0.86 TDP1 (0.40) TDP1P2RY2SLC28A1SLC28A2SLC29A1
SCHEMBL25400099 0.85 TDP1 (0.39) TDP1NT5EP2RY2P2RY12SLC28A1

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 3 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-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 (1 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-20170056528-A1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF ADAR, NT5C3B, NSUN2 TDP1 160/4885NT5E 10/4885P2RY2 558/4885

“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.