SCHEMBL4746306

SCHEMBL4746306

c1cc(-c2ccc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)cc2)cc(-c2cc3c4cccc5c4c(cc3c3ccccc23)-c2ncccc2-5)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PIK3CD O00329 1/20 0.35
ACVR1 Q04771 1/20 0.34
FEN1 P39748 1/20 0.34
PTPRC P08575 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP4K4 O95819 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34

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
SCHEMBL4745821 0.94 PTGS1 (0.40) PTGS1PTGS2ACVR1FEN1PTPRC
SCHEMBL4746298 0.94 PTPRC (0.38) PTGS1PTGS2PIK3CDFEN1PTPRC
SCHEMBL4746300 0.94 PTPRC (0.38) PTGS1PTGS2ACVR1FEN1PTPRC
SCHEMBL4746287 0.93 PTPRC (0.39) PTGS1PTGS2ACVR1FEN1PTPRC
SCHEMBL4745799 0.90 TOP2A (0.36) PTGS1PTGS2PIK3CDFEN1PTPRC
SCHEMBL4746335 0.90 ALDH1A1 (0.39) PIK3CDPTPRCALDH1A1HSD17B10CTSL
SCHEMBL4746386 0.88 ALDH1A1 (0.38) ACVR1PTPRCALDH1A1HSD17B10CTSL
SCHEMBL4746384 0.86 ALDH1A1 (0.37) PIK3CDACVR1PTPRCALDH1A1HSD17B10
SCHEMBL4746267 0.85 ALDH1A1 (0.42) PTPRCALDH1A1HSD17B10CTSLCTSS
SCHEMBL4745816 0.85 HTR2B (0.40) ALDH1A1HSD17B10HPGDTSHRMAPK1

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 2 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-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 PTGS1 2683/4885PTGS2 1847/4885PIK3CD 2375/4885

“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.