SCHEMBL22181528

SCHEMBL22181528

c1ccc2c(c1)Oc1cccc3c1B2c1cccc(-c2ccccc2-c2c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc24)c1O3

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR84 Q9NQS5 2/20 0.33
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 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
SCHEMBL23432606 0.95 MAPK1 (0.34) MAPK1ALDH1A1HPGDTSHRCASP1
SCHEMBL22181529 0.91 ALDH1A1 (0.33) MAPK1ALDH1A1HPGDTSHRCASP1
SCHEMBL22181731 0.90 SOS1 (0.41) MAPK1ALDH1A1HPGDTSHRCASP1
SCHEMBL22181273 0.89 GPR84 (0.32) MAPK1GPR84KDM4EATM
SCHEMBL22181513 0.85 GPR84 (0.35) GPR84
SCHEMBL22181678 0.85 ALDH1A1 (0.32) MAPK1ALDH1A1HPGDTSHRCASP1
SCHEMBL22181662 0.85 ALDH1A1 (0.32) MAPK1ALDH1A1HPGDTSHRCASP1
SCHEMBL23432479 0.85 SOS1 (0.43) ALDH1A1HIF1AHSD17B10GPR84
SCHEMBL23432481 0.84 MEN1 (0.32) GPR84KDM4E
SCHEMBL22159675 0.84 GPR84 (0.30) GPR84

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 MAPK1 1926/4885ALDH1A1 791/4885HPGD 3962/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 MAPK1 1926/4885ALDH1A1 791/4885HPGD 3962/4885

“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.