SCHEMBL12413287

SCHEMBL12413287

CC(C)c1ccc2c(Br)c(-c3sc4c(Br)c(-c5oc6cc(C(C)C)ccc6c5Br)sc4c3Br)oc2c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.32
IKBKE Q14164 1/20 0.32
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
BCHE P06276 2/20 0.30
ACHE P22303 2/20 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
SCHEMBL12413230 0.81 HPGD (0.39) CSNK2A2CSNK2BCSNK2A1
SCHEMBL12413348 0.78 HPGD (0.37) CSNK2A2CSNK2BCSNK2A1
SCHEMBL12413269 0.78
SCHEMBL2706167 0.70 BCHE (0.45) TBK1IKBKEBCHEACHE
SCHEMBL12413405 0.69 HPGD (0.35)
SCHEMBL12413225 0.69 HPGD (0.36) CSNK2A2CSNK2BCSNK2A1
SCHEMBL20033064 0.68 LMNA (0.40) TBK1IKBKEBCHEACHE
SCHEMBL12413241 0.68 HPGD (0.35)
SCHEMBL16806112 0.67 BCHE (0.42) TBK1IKBKEBCHEACHE
SCHEMBL13506889 0.64 TBK1 (0.41) TBK1IKBKEBCHEACHE

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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 TBK1 2988/4885IKBKE 3726/4885CSNK2A2 1609/4885

“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.