SCHEMBL2647634

SCHEMBL2647634

FC(F)(F)COC1CCC(NC2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK8 P45983 1/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
CCR2 P41597 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CD38 P28907 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
SCHEMBL2647631 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK8THRBATM
Hydrochloric Acid SCHEMBL13733941 0.90 MAPK8 (0.33) MAPK8CD38
SCHEMBL5872501 0.82 NPC1 (0.40)
SCHEMBL22692805 0.82 NPC1 (0.40)
SCHEMBL4426666 0.80 NPC1 (0.37)
SCHEMBL2647838 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649659 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649655 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2647840 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649447 0.75 ALDH1A1 (0.41) ALDH1A1HSD17B10THRBATML3MBTL1

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 1699/4885MAPK8 943/4885

“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.