SCHEMBL464556

SCHEMBL464556

COc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)ccc4-5)ccc2-3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.53
CYP1A2 P05177 2/20 0.49
CYP2A6 P11509 1/20 0.49
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL464575 0.94 CYP1A2 (0.53) PDK2CYP1A2CYP2A6CYP11B2CYP11B1
SCHEMBL10068658 0.94 CYP1A2 (0.53) PDK2CYP1A2CYP2A6CYP11B2CYP11B1
SCHEMBL12865719 0.91 HSD17B1 (0.53) PDK2CYP1A2CYP2A6CYP11B2CYP11B1
SCHEMBL431270 0.90 CYP11B2 (0.58) PDK2CYP1A2CYP2A6CYP11B2CYP11B1
SCHEMBL12393752 0.89 PDK2 (0.57) PDK2CYP11B2CYP11B1NPC1RAB9A
SCHEMBL12393750 0.89 PDK2 (0.57) PDK2CYP11B2CYP11B1NPC1RAB9A
SCHEMBL12057419 0.88 PDK2 (0.44) PDK2CYP1A2CYP2A6CYP11B2CYP11B1
SCHEMBL13385079 0.88 PDK2 (0.63) PDK2NPC1RAB9ASMN1; SMN2BACE1
SCHEMBL12393754 0.88 PDK2 (0.63) PDK2NPC1RAB9ASMN1; SMN2BACE1
SCHEMBL16017940 0.87 HSD17B1 (0.58) PDK2CYP1A2CYP2A6CYP11B2CYP11B1

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 6 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-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 PDK2 2968/4885CYP1A2 310/4885CYP2A6 541/4885

“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.