SCHEMBL21889361

SCHEMBL21889361

O=C1C(c2ccccc2)=C2C(=C1c1ccccc1)c1ccc(-c3ccc4c5c(cccc35)-c3cc5ccccc5cc3-4)c3cccc2c13

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CASP1 P29466 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP7 P55210 2/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL14680387 0.89 PTPN1 (0.41) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL15028262 0.89 MAPT (0.47) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL10304455 0.85 ALDH1A1 (0.54) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL8010799 0.80 ALDH1A1 (0.67) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL22727693 0.80 MAPT (0.40) ALDH1A1HPGDTSHRL3MBTL1MAPT
SCHEMBL29773784 0.79 ALDH1A1 (0.56) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL75606 0.79 ALDH1A1 (0.56) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL10015037 0.77 ALDH1A1 (0.41) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL12683614 0.77 ESR1 (0.40) ALDH1A1CASP1HPGDMAPK1HIF1A
SCHEMBL75348 0.77 CYP1B1 (0.51) ALDH1A1MAPTMEN1NPC1LMNA

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-11196007-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, electronic device, and moving object CANON KABUSHIKI KAISHA (JP) 2021-12-07 US disclosed
US-20200111964-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ELECTRONIC DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-04-09 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 (2 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-11196007-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, electronic device, and moving object OCIAD1, OCIAD2, OR51E2 ALDH1A1 319/4885CASP1 2620/4885HPGD 4078/4885
US-20200111964-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ELECTRONIC DEVICE, AND MOVING OBJECT OCIAD1, OCIAD2, OR51E2 ALDH1A1 319/4885CASP1 2620/4885HPGD 4078/4885

“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.