SCHEMBL3170231

SCHEMBL3170231

[BiH2]C(Sc1c(C2CCCCC2)cccc1C1CCCCC1)Sc1c(C2CCCCC2)cccc1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PTGS2 P35354 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
KMO O15229 1/20 0.31
PTPRC P08575 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP19A1 P11511 1/20 0.30
PRCP P42785 1/20 0.30
FEN1 P39748 1/20 0.30
TDO2 P48775 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
SCHEMBL3190595 0.78 CEL (0.40) CELPTGDR2PTGS2HTR1AHTR7
SCHEMBL3177384 0.73 CEL (0.37) CELPTGDR2PTGS2HTR1AHTR7
SCHEMBL28285430 0.71 CEL (0.41) CELPTGDR2PTGS2HTR1AHTR7
SCHEMBL19144813 0.71 CEL (0.41) CELPTGDR2PTGS2HTR1AHTR7
SCHEMBL3188236 0.70 HTR1A (0.36) CELPTGDR2PTGS2HTR1AHTR7
SCHEMBL42781 0.70 PTGDR2 (0.48) CELPTGDR2PTGS2ADRA2AADRA2B
SCHEMBL239469 0.69 ABCB1 (0.43) CELPTGDR2PTGS2HTR1AHTR7
Benzene SCHEMBL27853973 0.68 PTGDR2 (0.52) CELPTGDR2PTGS2KMOCYP11B2
SCHEMBL779938 0.67 CHRNB4 (0.46) CELPTGDR2PTGS2HTR1AHTR7
SCHEMBL3183482 0.67 CEL (0.46) CELPTGDR2PTGS2HTR1AHTR7

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 CEL 2032/4885PTGDR2 611/4885PTGS2 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.