SCHEMBL24847443

SCHEMBL24847443

CC(C)(C)c1cccc(C(F)(F)CF)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
KIF11 P52732 2/20 0.40
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL25450849 0.83 ACHE (0.46) ACHEHDAC4HDAC2HDAC8KIF11
SCHEMBL25094070 0.82 ACHE (0.49) ACHEHDAC4HDAC2HDAC8KIF11
SCHEMBL13610406 0.79 ACHE (0.44) ACHEKIF11ALDH1A1CYP2D6LMNA
SCHEMBL129151 0.79 HDAC8 (0.56) ACHEHDAC4HDAC2HDAC8KIF11
SCHEMBL25094054 0.79 ACHE (0.42) ACHEHDAC4HDAC2HDAC8KIF11
SCHEMBL22900110 0.78 KIF11 (0.40) ACHEHDAC4HDAC2HDAC8KIF11
SCHEMBL178282 0.78 TSHR (0.54) ACHEHDAC4HDAC2HDAC8KIF11
SCHEMBL12163579 0.78 ACHE (0.52) ACHEHDAC4HDAC2HDAC8KIF11
SCHEMBL25451230 0.78 ACHE (0.52) ACHEHDAC4HDAC2HDAC8KIF11
Water SCHEMBL29289408 0.77 HDAC8 (0.54) ACHEHDAC4HDAC2HDAC8KIF11

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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-01-05 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-20230002361-A1 2H-INDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 ACHE 1950/4885HDAC4 20/4885HDAC2 150/4885

“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.