SCHEMBL22181727

SCHEMBL22181727

c1ccc2c(c1)Oc1cccc3c1B2c1ccc(-c2ccccc2-c2c4ccccc4cc4c2ccc2ccccc24)cc1O3

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.40
GPR84 Q9NQS5 2/20 0.32
CYP1B1 Q16678 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 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 0.94 SOS1 (0.40) SOS1GPR84CYP1B1ALDH1A1HIF1A
SCHEMBL22181673 0.91 SOS1 (0.43) SOS1GPR84CYP1B1ALDH1A1HIF1A
SCHEMBL23432480 0.91 SOS1 (0.36) SOS1GPR84CYP1B1ALDH1A1HIF1A
SCHEMBL22181678 0.90 ALDH1A1 (0.32) GPR84ALDH1A1HIF1AHSD17B10
SCHEMBL22181679 0.90 MCL1 (0.32) GPR84ALDH1A1HSD17B10CYP1A2
SCHEMBL23432634 0.88 ALDH1A1 (0.38) GPR84CYP1B1ALDH1A1HIF1AHSD17B10
SCHEMBL22181505 0.87 GPR84 (0.36) GPR84
SCHEMBL22181542 0.87 KDM4E (0.32) CYP1A1CYP1A2
SCHEMBL22181731 0.86 SOS1 (0.41) SOS1GPR84CYP1B1ALDH1A1HIF1A
SCHEMBL23432479 0.86 SOS1 (0.43) SOS1GPR84CYP1B1ALDH1A1HIF1A

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 SOS1 15/4885GPR84 3172/4885CYP1B1 2625/4885
US-20200207787-A1 POLYCYCLIC AROMATIC COMPOUND, MATERIAL FOR AN ORGANIC DEVICE, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY APPARATUS AND LIGHTING APPARATUS TYR, AOC2, AOC1 SOS1 15/4885GPR84 3172/4885CYP1B1 2625/4885

“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.