SCHEMBL431232

SCHEMBL431232

CC(C)(C)c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(Br)ccc2-3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.37
PDK2 Q15119 4/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP2 O95551 3/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
GSK3B P49841 1/20 0.31
QPCT Q16769 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
XDH P47989 1/20 0.31
DHODH Q02127 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
SCHEMBL10045389 0.97 KIF11 (0.35) KIF11PDK2MEN1KMT2ASMN1; SMN2
SCHEMBL429012 0.94 PDK2 (0.36) KIF11PDK2MEN1KMT2ASMN1; SMN2
SCHEMBL14508377 0.88 PDK2 (0.39) PDK2TDP2CA9ALDH1A1
SCHEMBL31547362 0.87 PDK2 (0.39) PDK2MEN1KMT2ASMN1; SMN2TDP2
SCHEMBL429926 0.87 PDK2 (0.39) PDK2MEN1KMT2ASMN1; SMN2TDP2
SCHEMBL29721570 0.87 TDP2 (0.40) PDK2SMN1; SMN2TDP2CA9ALDH1A1
SCHEMBL824163 0.87 TDP2 (0.40) PDK2SMN1; SMN2TDP2CA9ALDH1A1
SCHEMBL1648023 0.87 PDK2 (0.40) PDK2SMN1; SMN2TDP2CA9ALDH1A1
SCHEMBL1649907 0.87 PDK2 (0.40) PDK2SMN1; SMN2TDP2CA9ALDH1A1
SCHEMBL14508381 0.87 PDK2 (0.40) PDK2SMN1; SMN2TDP2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 US disclosed
US-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed
US-8084937-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
US-8084937-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
EP-2045231-B1 Binaphthyl compound and organic light emitting element using the same CANON KK (JP) 2010-07-21 EP disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 US disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 US disclosed
EP-2045231-A1 Binaphthyl compound and organic light emitting element using the same Canon Kabushiki Kaisha (JP) 2009-04-08 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-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME ALPL, MT-ND4L, LAGE3 KIF11 2254/4885PDK2 2968/4885MEN1 2001/4885

“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.