SCHEMBL178391

SCHEMBL178391

COc1ccc(OC(C)C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
CYP2D6 P10635 2/20 0.43
CPS1 P31327 1/20 0.43
MAOB P27338 1/20 0.43
HTR2A P28223 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ADRA1A P35348 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL14268252 0.85 LMNA (0.49) CA12CA1CA2CA7CA9
SCHEMBL19862416 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2575428 0.81 KCNQ3 (0.36) MAOBMEN1KMT2AALDH1A1MAPT
SCHEMBL370408 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29809608 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
Isopropylamine SCHEMBL28069262 0.81 HTR2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL13791695 0.80 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1911936 0.78 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL19644906 0.78 CYP11B1 (0.43) CA12CA9MAOB
SCHEMBL5745812 0.78 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTP2RX3

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 CA12 4580/4885CA1 4389/4885CA2 3206/4885

“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.