SCHEMBL12379021

SCHEMBL12379021

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(C(C)(C)C)ccc4-5)cc(N(c4ccccc4)c4ccccc4)c3)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
PDK2 Q15119 3/20 0.33
DHODH Q02127 1/20 0.32
MAPT P10636 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
KIF11 P52732 2/20 0.30

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
SCHEMBL12379048 0.96 DHODH (0.34) CYP2D6ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL12379035 0.96 PDK2 (0.36) CYP2D6ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL12379076 0.96 PDK2 (0.33) CYP2D6ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL12379031 0.95 PDK2 (0.36) CYP2D6ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL12379022 0.94 PDK2 (0.38) CYP2D6ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL12379045 0.94 DHODH (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12379050 0.94 DHODH (0.37) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL12379093 0.93 PDK2 (0.36) CYP2D6ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL12379014 0.92 DHODH (0.30) ALDH1A1DHODHMAPT
SCHEMBL12379026 0.92 PDK2 (0.34) CYP2D6ALDH1A1PDK2DHODHMAPT

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-8288018-B2 Amino compound for organic light-emitting device and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2012-10-16 US disclosed
US-8288018-B2 Amino compound for organic light-emitting device and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2012-10-16 US disclosed
US-20110198576-A1 AMINO COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-08-18 US disclosed
US-20110198576-A1 AMINO COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-08-18 US disclosed
US-7960039-B2 Amino compound for organic light-emitting device and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2011-06-14 US disclosed
US-7960039-B2 Amino compound for organic light-emitting device and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2011-06-14 US disclosed
US-20070228941-A1 AMINO COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-10-04 US disclosed
US-20070228941-A1 AMINO COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-10-04 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-20070228941-A1 AMINO COMPOUND FOR ORGANIC LIGHT-EMITTING DEVICE AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ARL1, APOL1, UFL1 CYP2D6 869/4885ALDH1A1 606/4885NPC1 4598/4885

“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.