SCHEMBL16631726

SCHEMBL16631726

COC(=O)c1[nH]c(=O)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
MET P08581 1/20 0.45
GSK3B P49841 1/20 0.45
LIMK1 P53667 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
PADI4 Q9UM07 1/20 0.44
CYP1A2 P05177 1/20 0.42
CAPN1 P07384 6/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12502001 0.81 ALDH1A1 (0.49) KDM4EGAAALDH1A1HTTCYP1A2
SCHEMBL10465981 0.81 KDM4E (0.53) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL31502285 0.76 CAPN1 (0.46) CAPN1MAPTTDP1
SCHEMBL1858875 0.75 CHEK1 (0.41) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL6676446 0.74 HTT (0.48) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL3929954 0.73 KDM4E (0.53) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL23923776 0.72 ALDH1A1 (0.43) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL256714 0.72 CNR2 (0.44) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL28618724 0.71 CYP1A2 (0.52) KDM4EGAAALDH1A1NPSR1HTT
SCHEMBL17362511 0.70 CYP1A2 (0.40) DYRK1AKDM4EGAAALDH1A1NPSR1

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 CHEK1 1939/4885MET 3554/4885GSK3B 3253/4885

“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.