SCHEMBL22181529

SCHEMBL22181529

c1ccc2c(c1)Oc1ccc(-c3ccccc3-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3c1B2c1ccccc1O3

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GPR84 Q9NQS5 2/20 0.30

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
SCHEMBL23432481 0.94 MEN1 (0.32) MAOAMAOBGPR84
SCHEMBL22181528 0.91 MAPK1 (0.35) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL16890796 0.90 MAOA (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22181661 0.90 SOS1 (0.41) ALDH1A1HPGDMAPK1HIF1AHSD17B10
SCHEMBL22181669 0.88 GPR84 (0.32) MAPK1GPR84
SCHEMBL23432606 0.86 MAPK1 (0.34) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL22181514 0.85 GPR84 (0.35) TSHRHIF1AGPR84
SCHEMBL22181364 0.84 GPR84 (0.33) GPR84
SCHEMBL22159665 0.84 GPR84 (0.30) GPR84
SCHEMBL23432242 0.83 GPR84 (0.33) MAPK1GPR84

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-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2022-02-15 US disclosed
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-07-02 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-11248009-B2 Polycyclic aromatic compound, material for an organic device, organic electroluminescent element, display apparatus and lighting apparatus TYR, AOC2, AOC1 ALDH1A1 791/4885HPGD 3962/4885TSHR 3353/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 ALDH1A1 791/4885HPGD 3962/4885TSHR 3353/4885

“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.