SCHEMBL3175394

SCHEMBL3175394

CC(C)(C)c1cccc(C(C)(C)C)c1S[Bi](Sc1c(C(C)(C)C)cccc1C(C)(C)C)Sc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.34
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL3169913 0.84 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3169894 0.77 CA2 (0.52) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL5945264 0.77 CA2 (0.52) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3179384 0.76
SCHEMBL16048554 0.73 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL19860980 0.73 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27961887 0.71 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8392143 0.70 GABRA1 (0.54) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL138253 0.69 CA2 (0.55) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL11568323 0.68 ALDH1A1 (0.58) CA2GABRA1GABRB2ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076430-B2 Living radical polymerization promoter OTSUKA CHEMICAL CO., LTD. (JP) 2011-12-13 US disclosed
US-20100022728-A1 LIVING RADICAL POLYMERIZATION PROMOTER OTSUKA CHEMICAL CO., LTD. (JP) 2010-01-28 US disclosed
EP-2133357-A1 LIVING RADICAL POLYMERIZATION PROMOTER Otsuka Chemical Holdings Co., Ltd. (JP) 2009-12-16 EP 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-20100022728-A1 LIVING RADICAL POLYMERIZATION PROMOTER DNMT1, CYP1B1, DNMT3B CA2 2689/4885GABRA1 3794/4885GABRB2 2846/4885

“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.