SCHEMBL25577341

SCHEMBL25577341

COc1ccc(C=O)cc1-c1c(C)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
TSHR P16473 1/20 0.45
AOX1 Q06278 1/20 0.42
TTR P02766 1/20 0.41
FDPS P14324 1/20 0.40
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
TRIM24 O15164 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
POLB P06746 3/20 0.39
PKM P14618 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.36
ESRRA P11474 1/20 0.36
NR1H2 P55055 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL24027956 0.92 ALDH1A1 (0.50) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL2019514 0.86 ALDH1A1 (0.56) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL24028105 0.82 KIF11 (0.43) ALDH1A1TSHRAOX1POLBL3MBTL1
SCHEMBL16697835 0.81 ALDH1A1 (0.50) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL5463001 0.77 ALDH1A1 (0.59) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL24028344 0.76 ALDH1A1 (0.54) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL512997 0.76 ALDH1A1 (0.61) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL24028315 0.75 ALDH1A1 (0.53) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL21459885 0.75 ALDH1A1 (0.56) ALDH1A1TSHRAOX1TTRFDPS
SCHEMBL24027981 0.75 ALDH1A1 (0.56) ALDH1A1TSHRAOX1TTRFDPS

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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD. (IL) 2023-06-08 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-20230174507-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF ACSS2, ADSS2, GLS2 ALDH1A1 210/4885TSHR 3698/4885AOX1 651/4885

“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.