SCHEMBL4745816

SCHEMBL4745816

c1cnc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4ccccc4c2)cc31

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GSTP1 P09211 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B2 P19099 1/20 0.37
DHFR P00374 1/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 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
SCHEMBL4746386 0.97 ALDH1A1 (0.38) HTR2BHTR5AALDH1A1HPGDHSD17B10
SCHEMBL4746384 0.96 ALDH1A1 (0.37) HTR2BHTR5AALDH1A1HPGDHSD17B10
SCHEMBL4746020 0.90 TGFBR1 (0.40) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746017 0.90 POLB (0.49) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746073 0.89 TDO2 (0.47) CYP11B1CYP17A1CYP19A1CYP11B2MAPK9
SCHEMBL4746069 0.89 TDO2 (0.47) MAPK1CYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL4746287 0.89 PTPRC (0.39) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746252 0.88 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746298 0.88 PTPRC (0.38) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL4746300 0.88 PTPRC (0.38) 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 HTR2B 434/4885HTR5A 613/4885ALDH1A1 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.