SCHEMBL23600438

SCHEMBL23600438

CC(C)(C)c1cccc2c1CC(F)(F)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14473669 0.75 ALDH1A1 (0.37) CA2ALDH1A1TSHR
SCHEMBL14455044 0.72 GABRA1 (0.39) CA2GABRA1GABRB2TSHR
SCHEMBL17123122 0.71 CA2 (0.35) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL12804798 0.71 BCL2L1 (0.45) CA2ALDH1A1TSHRTDP1
SCHEMBL22904342 0.71 CD44 (0.40) ALDH1A1TSHRTDP1
SCHEMBL31284979 0.71 TRPA1 (0.34)
SCHEMBL22904340 0.70 MAPT (0.31) ALDH1A1TDP1
SCHEMBL24446032 0.70 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL24871632 0.70 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22904316 0.69 PNMT (0.34)

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-20210198261-A1 AURORA KINASE INHIBITORS AND USES THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-07-01 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-20210198261-A1 AURORA KINASE INHIBITORS AND USES THEREOF AURKA, AURKC, AURKB CA2 1727/4885GABRA1 4564/4885GABRB2 4752/4885

“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.