SCHEMBL730668

SCHEMBL730668

CCOc1c[c]cc(OCC)c1-c1cnn(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TTK P33981 5/20 0.38
MAPK8 P45983 2/20 0.37
BRD4 O60885 3/20 0.36
CCL2 P13500 1/20 0.36
PLAU P00749 1/20 0.34
LRRK2 Q5S007 2/20 0.34
PIM1 P11309 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ACLY P53396 1/20 0.33
ABL1 P00519 1/20 0.33
PDGFRA P16234 1/20 0.33
CSK P41240 1/20 0.33
SIK1 P57059 1/20 0.33
IKBKE Q14164 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
TNIK Q9UKE5 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33

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
SCHEMBL731170 0.94 PLAU (0.39) KDM4ETTKMAPK8BRD4PLAU
SCHEMBL733129 0.83 LRRK2 (0.39) LRRK2PIM1ABL1SIK1SIK2
SCHEMBL732421 0.82 PLAU (0.45) TTKPLAULRRK2CYP11B1CYP11B2
SCHEMBL732896 0.81 RIPK1 (0.38) LRRK2JAK2JAK1JAK3
SCHEMBL730763 0.81 KIT (0.37) TTKJAK2
SCHEMBL730369 0.80 PLAU (0.40) TTKBRD4PLAUFGFR2AAK1
SCHEMBL732643 0.80 BRD4 (0.40) KDM4ETTKMAPK8BRD4CCL2
SCHEMBL731308 0.76 MAP4K4 (0.45) PLAUPIM1AAK1
SCHEMBL731379 0.74 PDK2 (0.45) TTKPLAUABL1SIK1SIK2
SCHEMBL730889 0.73 GRM5 (0.39) KDM4E

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 KDM4E 3445/4885TTK 2332/4885MAPK8 3138/4885

“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.