SCHEMBL3177948

SCHEMBL3177948

CC(C)(C)c1cc(C(C)(C)C)c(S[Bi](Sc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)Sc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX15 P16050 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATP2A2 P16615 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATP2A3 Q93084 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPN P05981 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
SCHEMBL3176272 0.84 GABRA1 (0.34) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL3178010 0.78 GABRA1 (0.40) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL14640959 0.76 GABRA1 (0.39) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL3175394 0.74 CA2 (0.46) GABRA1GABRB2ALDH1A1TDP1TSHR
SCHEMBL24344713 0.71 POLB (0.41) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL9173094 0.71 ALDH1A1 (0.46) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL139483 0.70 GABRA1 (0.42) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL3175072 0.70 GABRA1 (0.33) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL11357994 0.67 POLB (0.46) GABRA1GABRB2POLBHSP90AA1ALOX15
SCHEMBL7136246 0.67 GABRA1 (0.43) GABRA1GABRB2POLBHSP90AA1ALOX15

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 GABRA1 3794/4885GABRB2 2846/4885POLB 232/4885

“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.