SCHEMBL2648902

SCHEMBL2648902

COC1CCC(NC2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.36
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPK8 P45983 4/20 0.32
ADH4 P08319 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRK1 P41145 1/20 0.31
EPHX1 P07099 2/20 0.30
MAPK9 P45984 1/20 0.30

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
SCHEMBL2649070 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2648254 0.98 ALDH1A1 (0.57) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2648250 0.98 ALDH1A1 (0.57) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2648937 0.98 ALDH1A1 (0.57) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2648934 0.98 ALDH1A1 (0.57) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL20887775 0.95 ALDH1A1 (0.55) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2648425 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2659541 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2648633 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL1678973 0.78

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-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 ALDH1A1 3782/4885HSD17B10 1699/4885THRB 2429/4885

“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.