SCHEMBL104736

SCHEMBL104736

CC(C)Oc1cccc(F)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.40
MCHR1 Q99705 1/20 0.39
ALB P02768 1/20 0.38
ERN1 O75460 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL2811830 0.85 IRAK4 (0.48) IRAK4ALDH1A1CA1CA2CA7
SCHEMBL1051648 0.81 ALDH1A1 (0.58) IRAK4ALDH1A1CA1CA2CA7
SCHEMBL11916618 0.79 SLC6A2 (0.43) IRAK4ALDH1A1CA1CA2CA7
SCHEMBL104729 0.79 ALDH1A1 (0.53) IRAK4ALDH1A1GAAACHENPSR1
SCHEMBL17070600 0.79 ALDH1A1 (0.53) IRAK4ALDH1A1GAAACHENPSR1
SCHEMBL28079793 0.78 KDM4E (0.59) IRAK4ALDH1A1CA1CA2CA7
SCHEMBL13263183 0.78 KCNN4 (0.41) IRAK4ALDH1A1CA1CA2CA7
SCHEMBL16606250 0.78 MCHR1 (0.40) IRAK4ALDH1A1CA1CA2CA7
SCHEMBL30416971 0.77 MAPT (0.64) ALDH1A1CA1CA2CA7CA9
SCHEMBL178550 0.77 MAPT (0.64) ALDH1A1CA1CA2CA7CA9

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 IRAK4 1082/4885ALDH1A1 3128/4885CA1 4389/4885

“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.