SCHEMBL431270

SCHEMBL431270

COc1ccc2cc(-c3ccc4cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccccc9)ccc7-8)ccc5-6)ccc4c3)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.58
CYP11B1 P15538 5/20 0.58
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
PDK2 Q15119 1/20 0.49
CYP17A1 P05093 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP19A1 P11511 1/20 0.49
GSTP1 P09211 1/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2A6 P11509 1/20 0.47
PLAU P00749 1/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2B6 P20813 1/20 0.45
PTGS2 P35354 1/20 0.45
PGR P06401 1/20 0.44

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
SCHEMBL13385084 0.92 PDK2 (0.52) CYP11B2CYP11B1PDK2NPC1RAB9A
SCHEMBL16017940 0.92 HSD17B1 (0.58) CYP11B2CYP11B1HSD17B1HSD17B2PDK2
SCHEMBL16017873 0.91 PDK2 (0.52) CYP11B2CYP11B1HSD17B1HSD17B2PDK2
SCHEMBL12393752 0.91 PDK2 (0.57) CYP11B2CYP11B1PDK2NPC1RAB9A
SCHEMBL12393750 0.91 PDK2 (0.57) CYP11B2CYP11B1PDK2NPC1RAB9A
SCHEMBL12865702 0.90 PDK2 (0.50) CYP11B2CYP11B1HSD17B1HSD17B2PDK2
SCHEMBL464575 0.90 CYP1A2 (0.53) CYP11B2CYP11B1HSD17B1HSD17B2PDK2
SCHEMBL464556 0.90 PDK2 (0.53) CYP11B2CYP11B1HSD17B1HSD17B2PDK2
SCHEMBL10068658 0.90 CYP1A2 (0.53) CYP11B2CYP11B1HSD17B1HSD17B2PDK2
SCHEMBL12865719 0.87 HSD17B1 (0.53) CYP11B2CYP11B1HSD17B1HSD17B2PDK2

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 8 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
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

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 CYP11B2 268/4885CYP11B1 484/4885HSD17B1 463/4885

“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.