SCHEMBL3188236

SCHEMBL3188236

C[Bi](C)Sc1c(C2CCCCC2)cccc1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
PTGS2 P35354 1/20 0.36
CEL P19835 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HTR2C P28335 3/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
KMO O15229 1/20 0.31
CYP11B2 P19099 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
SCHEMBL3177384 0.85 CEL (0.37) HTR1AHTR7PTGS2CELPTGDR2
SCHEMBL3190595 0.78 CEL (0.40) HTR1AHTR7PTGS2CELPTGDR2
SCHEMBL31240954 0.71 HTR2C (0.52) HTR1AHTR7PTGS2CELPTGDR2
SCHEMBL3170231 0.70 CEL (0.35) HTR1AHTR7PTGS2CELPTGDR2
SCHEMBL42781 0.70 PTGDR2 (0.48) PTGS2CELPTGDR2HTR2CADRA2A
SCHEMBL239469 0.69 ABCB1 (0.43) HTR1AHTR7PTGS2CELPTGDR2
Benzene SCHEMBL27853973 0.68 PTGDR2 (0.52) PTGS2CELPTGDR2HTR2CKMO
SCHEMBL779938 0.67 CHRNB4 (0.46) HTR1AHTR7PTGS2CELPTGDR2
SCHEMBL201424 0.67 CEL (0.46) HTR1AHTR7PTGS2CELPTGDR2
SCHEMBL3183482 0.67 CEL (0.46) HTR1AHTR7PTGS2CELPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133357-B1 LIVING RADICAL POLYMERIZATION PROMOTER OTSUKA CHEMICAL CO LTD (JP) 2016-11-16 EP disclosed
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 HTR1A 2983/4885HTR7 2104/4885PTGS2 332/4885

“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.