SCHEMBL24401065

SCHEMBL24401065

CC(C)(C)c1ccc2c(c1)C(F)(F)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.32
CYP2D6 P10635 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A4 P31645 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TSHR P16473 1/20 0.31
HTR2A P28223 3/20 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
SCHEMBL19398836 0.89 KDM1A (0.36) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30859519 0.79 RXRA (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL6073558 0.79 RXRA (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30859520 0.79 RXRA (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL17563595 0.76 CYP11B2 (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL17563596 0.76 CYP11B2 (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL17563594 0.76 CYP11B2 (0.40) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL23569863 0.75 KDM1A (0.40) ALDH1A1SIGMAR1KDM1A
SCHEMBL19406902 0.74 KIF11 (0.33) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25100748 0.73 MAP3K14 (0.36) KIF11ALDH1A1HPGDALOX15HSD17B10

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 KIF11 3269/4885ALDH1A1 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.