SCHEMBL24401062

SCHEMBL24401062

CC(C)(C)c1ccc2c(c1)C(F)(F)CO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 5/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
RECQL P46063 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL12169410 0.81 NOTUM (0.47) CYP19A1NOTUM
SCHEMBL23266155 0.71 RARA (0.46) NPC1MAPT
SCHEMBL19821008 0.71 MAOA (0.36) CYP19A1ALDH1A1NPC1RAB9ALMNA
SCHEMBL12024916 0.70 PTGS1 (0.39) CYP19A1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL12412423 0.69 CYP19A1 (0.35) CYP19A1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL24401065 0.68 KIF11 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2662893 0.68 KIF11 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL24735666 0.67 ABCG2 (0.39) LMNAHTTKIF11PKM
SCHEMBL30882460 0.67 RARB (0.54) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL2662892 0.67 ALDH1A1 (0.38) CYP19A1ALDH1A1HPGDALOX15HSD17B10

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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 CYP19A1 1062/4885ALDH1A1 1618/4885HPGD 1922/4885

“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.