SCHEMBL4586331

SCHEMBL4586331

Cc1cc2c(cc1Br)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c(C)cc1-2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.41
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
PGR P06401 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
SCHEMBL22990101 0.93 PDK2 (0.42) PDK2
SCHEMBL546245 0.88 PDK2 (0.39) PDK2BCHECES1PGR
SCHEMBL546957 0.85 PDK2 (0.36) PDK2
SCHEMBL23040369 0.82 ESR1 (0.37) PDK2BCHECES1PGR
SCHEMBL30318820 0.82 ESR1 (0.37) PDK2BCHECES1PGR
SCHEMBL10025082 0.81 PDK2 (0.45) PDK2PGR
SCHEMBL10025097 0.81 PDK2 (0.54) PDK2PGR
SCHEMBL14508335 0.81 ALDH1A1 (0.44) PDK2
SCHEMBL29577059 0.81 ALDH1A1 (0.44) PDK2
SCHEMBL29789018 0.81 ALDH1A1 (0.44) PDK2

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-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 PDK2 3787/4885BCHE 4072/4885CES1 2887/4885

“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.