SCHEMBL464575

SCHEMBL464575

COc1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8cc(-c9ccc%10ccccc%10c9)ccc8c7)ccc5-6)ccc3-4)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
CYP2A6 P11509 1/20 0.53
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
PDK2 Q15119 2/20 0.47
CYP11B2 P19099 6/20 0.46
CYP11B1 P15538 5/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2B6 P20813 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
GSTP1 P09211 1/20 0.45
CYP17A1 P05093 2/20 0.44
CYP19A1 P11511 1/20 0.43
PTGS2 P35354 1/20 0.43
PTGER3 P43115 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL10068658 1.00 CYP1A2 (0.53) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL12865719 0.97 HSD17B1 (0.53) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL464556 0.94 PDK2 (0.53) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL16017940 0.91 HSD17B1 (0.58) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL431270 0.90 CYP11B2 (0.58) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL16017873 0.90 PDK2 (0.52) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL12306553 0.88 MAOA (0.48) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL13385084 0.88 PDK2 (0.52) CYP1A2CYP2A6PDK2CYP11B2CYP11B1
SCHEMBL12880503 0.86 CYP1A2 (0.53) CYP1A2CYP2A6HSD17B1HSD17B2PDK2
SCHEMBL12865633 0.85 HSD17B1 (0.50) CYP1A2CYP2A6HSD17B1HSD17B2PDK2

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 CYP1A2 310/4885CYP2A6 541/4885HSD17B1 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.