SCHEMBL545862

SCHEMBL545862

Cc1cc2c(cc1Br)C(C)(C)c1cc(Br)c(C)cc1-2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
ALDH3A1 P30838 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
SCHEMBL10057839 0.88 BCHE (0.40) BCHECES1
SCHEMBL546245 0.87 PDK2 (0.39) BCHECES1ALDH1A1
SCHEMBL546961 0.81 BCHE (0.35) BCHECES1ALDH1A1
SCHEMBL546321 0.80 BCHE (0.34) BCHECES1
SCHEMBL23040369 0.78 ESR1 (0.37) BCHECES1ALDH1A1
SCHEMBL30318820 0.78 ESR1 (0.37) BCHECES1ALDH1A1
SCHEMBL545981 0.78 ALKBH3 (0.38) ALDH1A1
SCHEMBL4586331 0.76 PDK2 (0.41) BCHECES1
SCHEMBL20209377 0.74 ALOX15 (0.34) ALDH1A1
SCHEMBL29705959 0.74 ALOX15 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9853218-B2 High-molecular compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-8110294-B2 Fluorene compound; steric hindrance CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-8110294-B2 Fluorene compound; steric hindrance CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-08-21 US disclosed
US-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2008-08-21 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-20080200736-A1 MATERIAL FOR ORGANIC LIGHT-EMITTING ELEMENT AND ORGANIC LIGHT-EMITTING ELEMENT INCLUDING THE SAME LEF1, FMNL1, AFF1 BCHE 4072/4885CES1 2887/4885ALDH1A1 319/4885

“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.