SCHEMBL19683576

SCHEMBL19683576

Brc1ccc(-c2cc3ccc4c(ccc5cc(-c6ccc(Br)cc6)oc54)c3o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
MAOA P21397 2/20 0.60
CYP3A4 P08684 2/20 0.46
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
TNKS O95271 1/20 0.44
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL11643021 0.86 MAOB (0.62) MAOBMAOACYP3A4TNKSCYP1A1
SCHEMBL19683360 0.80 MAOB (0.42) MAOBMAOACYP3A4ESR1ESR2
SCHEMBL12279194 0.79 CSNK2A2 (0.49) MAOBMAOAESR1ESR2TNKS
SCHEMBL19683526 0.79 MAOB (0.51) MAOBMAOACYP3A4ESR1ESR2
SCHEMBL12279182 0.78 MAOA (0.58) MAOBMAOACYP3A4NPC1RAB9A
SCHEMBL19683462 0.77 MAOB (0.47) MAOBMAOATNKSGABRPGABRD
SCHEMBL29705976 0.77 TNKS (0.56) MAOBMAOACYP3A4TNKSGABRP
SCHEMBL19683551 0.77 TNKS (0.56) MAOBMAOACYP3A4TNKSGABRP
SCHEMBL4149155 0.77 MAOB (0.69) MAOBMAOACYP3A4ESR1ESR2
SCHEMBL5309590 0.75 NPC1 (0.73) MAOBMAOACYP3A4ESR1ESR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114940681-A Electroactive compounds 株式会社LG化学 2022-08-26 CN disclosed
CN-110023319-B Electroactive compounds 株式会社LG化学 2022-06-17 CN disclosed
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 US disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 WO disclosed
WO-2017210072-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 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-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 MAOB 122/4885MAOA 184/4885CYP3A4 310/4885

“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.