SCHEMBL22299331

SCHEMBL22299331

Brc1cc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.54
▸ CHRM4 P08173 2/20 0.54
▸ CHRM5 P08912 2/20 0.54
▸ CHRM1 P11229 2/20 0.54
▸ CHRM3 P20309 2/20 0.54
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ BACE1 P56817 1/20 0.39
▸ MAOB P27338 5/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ FABP4 P15090 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL27660184 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29212975 0.82 BACE1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13158248 0.78 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14528474 0.75 MAPK1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3977197 0.72 AKR1C3 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10950956 0.71 TDO2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3642837 0.70 BCAT2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8438886 0.69 HPGD (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19683393 0.69 GPR35 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5498017 0.68 BACE1 (0.42) ALDH1A1MAPK1BACE1MAOBRAB9A

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-20220098217-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2022-03-31 — — US disclosed
WO-2020159249-A1 COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 엘티소재주식회사 2020-08-06 — — WO 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 (1 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-20220098217-A1 COMPOUND, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE AOX1, OXER1, OR51E2 CHRM2 605/4885CHRM4 251/4885CHRM5 748/4885

“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.

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