SCHEMBL732594

SCHEMBL732594

CCOc1c[c]cc(OCC)c1-c1cn[nH]c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.37
AURKA O14965 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
KCNH2 Q12809 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
ROCK2 O75116 5/20 0.34
ROCK1 Q13464 4/20 0.34
LMNA P02545 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
MAPK8 P45983 1/20 0.34
LRRK2 Q5S007 1/20 0.33
AOC3 Q16853 2/20 0.33
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32

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
SCHEMBL733083 0.81 PLAU (0.43) TTKAURKACCNA2CDK2KCNH2
SCHEMBL730591 0.80 ROCK2 (0.42) TTKAURKACCNA2CDK2AKT1
SCHEMBL730889 0.76 GRM5 (0.39) KCNH2AOC3
SCHEMBL731315 0.74 ROCK2 (0.47) ROCK2ROCK1BRD4
SCHEMBL733080 0.72 LMNA (0.33) LMNAAOC3
SCHEMBL733580 0.72 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL731429 0.72 ALDH1A1 (0.42) LMNA
SCHEMBL730668 0.71 KDM4E (0.39) TTKPIM1MAPK8LRRK2BRD4
SCHEMBL730763 0.71 KIT (0.37) TTK
SCHEMBL4274695 0.70 MEN1 (0.32) LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 TTK 2332/4885AURKA 127/4885CCNA2 109/4885

“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.