SCHEMBL21982935

SCHEMBL21982935

CC(C)(C)c1cc(Cl)cc2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.41
▸ F7 P08709 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ TNF P01375 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ CMA1 P23946 1/20 0.37
▸ IKBKB O14920 3/20 0.36
▸ CHUK O15111 2/20 0.36
▸ NR3C1 P04150 2/20 0.34
▸ PGR P06401 2/20 0.34
▸ CHEK1 O14757 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ NR3C2 P08235 1/20 0.30
▸ AR P10275 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ TAF1 P21675 1/20 0.30
▸ BRPF1 P55201 1/20 0.30

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
SCHEMBL19100535 0.78 AHR (0.41) AHRNR4A2NR3C1PGRCSNK2A1
SCHEMBL2599709 0.75 AHR (0.45) AHRF7LTA4HF3NR4A2
SCHEMBL21315701 0.74 AHR (0.48) AHRF7LTA4HF3NR4A2
SCHEMBL838245 0.74 AHR (0.54) AHRF7LTA4HF3NR4A2
SCHEMBL28992884 0.72 AHR (0.42) AHRF7LTA4HF3NR4A2
Tert-Butyl Formate SCHEMBL27584063 0.72 TDP1 (0.37) AHRF7LTA4HF3NR4A2
SCHEMBL18746334 0.71 SMN1; SMN2 (0.51) —
SCHEMBL13961694 0.71 AHR (0.45) AHRF7LTA4HF3NR4A2
SCHEMBL1397681 0.71 CSNK2A1 (0.46) AHRF7LTA4HF3NR4A2
SCHEMBL14909105 0.71 TNF (0.57) AHRF7LTA4HF3NR4A2

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-10647703-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-05-12 — — 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-10647703-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, G3BP1 AHR 3864/4885F7 3279/4885LTA4H 3941/4885

“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.

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