SCHEMBL13561663

SCHEMBL13561663

Cc1cc2c(ccc3cc(C(C)C)ccc32)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
KDM4E B2RXH2 4/20 0.41
GAA P10253 4/20 0.41
EIF4A3 P38919 3/20 0.40
NQO2 P16083 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL13560749 0.83 KIF11 (0.47) KIF11KDM4EGAAEIF4A3PTGS2
SCHEMBL9910163 0.80 CYP2A6 (0.55) KIF11KDM4EGAAEIF4A3PTGS2
SCHEMBL19485845 0.80 KIF11 (0.44) KIF11KDM4EGAAEIF4A3PTGS2
SCHEMBL13561583 0.79 ALDH1A1 (0.55) KIF11KDM4EGAANQO2RXFP1
SCHEMBL13561499 0.78 KDM4E (0.41) KIF11KDM4EGAAEIF4A3RXFP1
SCHEMBL3912740 0.78 UGT2B7 (0.45) KIF11GAAEIF4A3ALDH1A1TBK1
SCHEMBL3265231 0.77 EIF4A3 (0.57) KIF11KDM4EGAAEIF4A3RXFP1
SCHEMBL21376875 0.76 KIF11 (0.62) KIF11KDM4EGAAEIF4A3PTGS2
SCHEMBL16892344 0.75 NQO2 (0.53) KIF11KDM4EGAANQO2RXFP1
SCHEMBL4424885 0.75 NQO2 (0.57) KIF11KDM4EGAANQO2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 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-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KIF11 2461/4885KDM4E 3618/4885GAA 234/4885

“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.