SCHEMBL4745832

SCHEMBL4745832

c1cnc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2cc4ccccc4c4ccccc24)cc31

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 4/20 0.56
HSD17B10 Q99714 4/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
CASP1 P29466 2/20 0.56
HIF1A Q16665 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP11B1 P15538 1/20 0.42
TOP2A P11388 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
TP53 P04637 1/20 0.37
CASP7 P55210 1/20 0.37
CYP1A2 P05177 3/20 0.37
PTPRC P08575 2/20 0.37
MAOA P21397 2/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL4745930 0.93 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746267 0.92 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4745841 0.91 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746464 0.91 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746392 0.91 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746454 0.89 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746407 0.89 PTPRC (0.40) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4745978 0.89 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746023 0.89 L3MBTL1 (0.41) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4745872 0.87 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRMAPK1

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 ALDH1A1 179/4885HPGD 1775/4885HSD17B10 2132/4885

“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.