SCHEMBL105250

SCHEMBL105250

CC(C)Oc1cccc(F)c1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
KCNN4 O15554 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KCNH2 Q12809 3/20 0.38
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
ALDH1A1 P00352 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 1/20 0.37
ACHE P22303 1/20 0.37
MCHR1 Q99705 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GCGR P47871 1/20 0.35
KCNK3 O14649 1/20 0.35

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
SCHEMBL8371348 0.84 DHODH (0.39) IRAK4KCNN4KCNH2TMEM97SIGMAR1
SCHEMBL18150337 0.84 SLC6A2 (0.46) GABRA1GABRG2GABRB3KCNN4TAAR1
SCHEMBL15248168 0.82 KCNH2 (0.39) GABRA1IRAK4KCNN4KCNH2TMEM97
SCHEMBL29786369 0.82 CSNK2A1 (0.40) IRAK4KCNN4TAAR1KCNH2TMEM97
SCHEMBL20472401 0.82 CSNK2A1 (0.40) IRAK4KCNN4TAAR1KCNH2TMEM97
SCHEMBL28562728 0.82 MCHR1 (0.36) IRAK4KCNN4KCNH2TMEM97SIGMAR1
SCHEMBL23364570 0.80 GABRA1 (0.42) GABRA1GABRG2GABRB3IRAK4ALDH1A1
SCHEMBL30092869 0.80 GABRA1 (0.42) GABRA1GABRG2GABRB3IRAK4ALDH1A1
SCHEMBL178447 0.79 L3MBTL1 (0.46) TAAR1KCNH2ALDH1A1CA1CA2
SCHEMBL28892579 0.79 GABRA1 (0.37) GABRA1GABRG2GABRB3IRAK4

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-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 GABRA1 762/4885GABRG2 779/4885GABRB3 271/4885

“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.