SCHEMBL430011

SCHEMBL430011

CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6ccc7ccccc7c6n5)ccc3-4)ccc2-c2ccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIM1 P11309 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL19768250 0.88 ENPP3 (0.34) ARALDH1A1NPC1RAB9AKDM4E
SCHEMBL19768443 0.88 PDK2 (0.35) ARPIM1
SCHEMBL14278948 0.83 AR (0.35) ARALDH1A1NPC1RAB9AKDM4E
SCHEMBL12577808 0.83 MAPT (0.31) ARMAPT
SCHEMBL17324133 0.82 CCR1 (0.36) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL22016861 0.82 PDK2 (0.40) CYP11B1CYP11B2CLK2HIPK1HIPK2
SCHEMBL20250443 0.81 ENPP1 (0.40) ARALDH1A1KDM4EMAPTNFKB1
SCHEMBL20250430 0.81 PDK2 (0.39) RAB9APIM1CYP11B1CYP11B2CYP1A1
SCHEMBL132323 0.80 PDK2 (0.37) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL19768467 0.80 CYP11B1 (0.46) ARALDH1A1NPC1RAB9AKDM4E

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 AR 3939/4885ALDH1A1 476/4885NPC1 3461/4885

“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.