SCHEMBL2649253

SCHEMBL2649253

CCOC[C@@H]1CCC[C@@H](NC2CCCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
EPHX1 P07099 2/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MMP1 P03956 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
SCHEMBL2649257 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649251 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649154 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649155 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649156 1.00 ALDH1A1 (0.43) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649791 0.96 ALDH1A1 (0.46) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649794 0.96 ALDH1A1 (0.46) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649713 0.85 ALDH1A1 (0.55) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649705 0.85 ALDH1A1 (0.55) ALDH1A1HSD17B10THRBATML3MBTL1
SCHEMBL2649701 0.85 ALDH1A1 (0.55) 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 2 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

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.