SCHEMBL104908

SCHEMBL104908

CC(C)Oc1cnccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
BRPF1 P55201 2/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
FOS P01100 1/20 0.33
TTR P02766 1/20 0.33
JUN P05412 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
SCHEMBL23021688 0.78 CHRNB2 (0.39) MKNK1MKNK2ALDH1A1LMNATP53
SCHEMBL32667134 0.76 GAA (0.42) MKNK1MKNK2ALDH1A1KDM4CIRAK4
SCHEMBL25567193 0.76 GAA (0.42) MKNK1MKNK2ALDH1A1KDM4CIRAK4
SCHEMBL19088189 0.76 MKNK1 (0.36) MKNK1MKNK2ALDH1A1LMNATP53
SCHEMBL18985748 0.76 MKNK1 (0.36) MKNK1MKNK2ALDH1A1LMNATP53
SCHEMBL29857879 0.76 BUB1 (0.39) MKNK1MKNK2ALDH1A1LMNATP53
SCHEMBL23012570 0.76 BUB1 (0.39) MKNK1MKNK2ALDH1A1LMNATP53
SCHEMBL4072595 0.73 NOTUM (0.37) MKNK1MKNK2ALDH1A1LMNATP53
SCHEMBL20480919 0.73 MKNK1 (0.38) MKNK1MKNK2ALDH1A1LMNATP53
Formic Acid SCHEMBL28808651 0.73 SIRT3 (0.39) MKNK1MKNK2ALDH1A1LMNATP53

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 MKNK1 257/4885MKNK2 189/4885ALDH1A1 3128/4885

“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.