SCHEMBL431835

SCHEMBL431835

CC1(C)c2cc(Oc3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8cc(-c9ccc%10ccccc%10c9)ccc8c7)ccc5-6)ccc3-4)cc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.45
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
GSTP1 P09211 2/20 0.41
BTK Q06187 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ADORA1 P30542 1/20 0.38
ALOX5 P09917 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PGR P06401 1/20 0.36
LTA4H P09960 1/20 0.36
PTGER3 P43115 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
SCHEMBL12306553 0.94 MAOA (0.48) PDK2MAOAMAOBGSTP1LPL
SCHEMBL12306561 0.93 GSTP1 (0.41) PDK2MAOAMAOBGSTP1BTK
SCHEMBL12306556 0.91 MAOA (0.46) PDK2MAOAMAOBGSTP1LPL
SCHEMBL12306515 0.86 MAOA (0.54) PDK2MAOAMAOBALOX5RAB9A
SCHEMBL10068658 0.85 CYP1A2 (0.53) PDK2GSTP1SLC6A2SLC6A4SLC6A3
SCHEMBL464575 0.85 CYP1A2 (0.53) PDK2GSTP1SLC6A2SLC6A4SLC6A3
SCHEMBL12306514 0.85 GSTP1 (0.46) PDK2MAOAMAOBGSTP1PGR
SCHEMBL12306573 0.84 LPL (0.36) PDK2MAOAMAOBGSTP1BTK
SCHEMBL13206916 0.84 FFAR4 (0.45) PDK2MAOAMAOBGSTP1ADORA1
SCHEMBL12306567 0.84 FFAR4 (0.45) PDK2MAOAMAOBGSTP1ADORA1

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 PDK2 2968/4885MAOA 1390/4885MAOB 2835/4885

“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.