SCHEMBL4745833

SCHEMBL4745833

CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)c1-2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.34
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL4745834 0.83 PDK2 (0.31)
SCHEMBL4745857 0.82 KDR (0.38) KDRNPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL4746419 0.78 TGFBR1 (0.34) ALDH1A1L3MBTL1
SCHEMBL4745946 0.78 CYP1A2 (0.35) KDRALDH1A1L3MBTL1
SCHEMBL4746429 0.77 TGFBR1 (0.33) ALDH1A1L3MBTL1
SCHEMBL4745922 0.77 KDR (0.33) KDRALDH1A1
SCHEMBL27350800 0.77 ALDH1A1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL14476520 0.76 NPC1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL4745820 0.76 PDK2 (0.34)
SCHEMBL4746407 0.75 PTPRC (0.40) NPC1ALDH1A1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173275-B2 Azaindenochrysene derivative and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-8173275-B2 Azaindenochrysene derivative and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-05-13 US disclosed
US-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-05-13 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-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE NR2E3, OR51E2, AZI2 KDR 944/4885NPC1 3564/4885ALDH1A1 179/4885

“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.