SCHEMBL22181533

SCHEMBL22181533

c1ccc2c(c1)Oc1cccc3c1B2c1cc(-c2ccccc2-c2ccc4ccc5cc6ccccc6cc5c4c2)ccc1O3

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL22181728 0.85 SOS1 (0.40) ALDH1A1HIF1ACYP1B1HSD17B10GPR84
SCHEMBL22181659 0.85 GPR84 (0.31) MAOAMAOBGPR84
SCHEMBL23432447 0.85 GPR84 (0.32) MAOAMAOBALDH1A1HIF1ACYP1B1
SCHEMBL16890646 0.83 MCL1 (0.40) MAOAMAOBALDH1A1HSD17B10KDM4E
SCHEMBL22181274 0.83 MCL1 (0.32) ALDH1A1HSD17B10KDM4EMAPK1ATM
SCHEMBL23432634 0.83 ALDH1A1 (0.38) ALDH1A1HIF1ACYP1B1HSD17B10KDM4E
SCHEMBL22181515 0.83 GPR84 (0.36) GPR84
SCHEMBL21793880 0.82 KDM4E (0.30) KDM4EMAPK1ATM
SCHEMBL23432590 0.81 ALDH1A1 (0.36) ALDH1A1HIF1ACYP1B1HSD17B10GPR84
SCHEMBL22181662 0.81 ALDH1A1 (0.32) MAOAMAOBALDH1A1HIF1AHSD17B10

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 MAOA 322/4885MAOB 732/4885ALDH1A1 791/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 MAOA 322/4885MAOB 732/4885ALDH1A1 791/4885

“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.