SCHEMBL20208913

SCHEMBL20208913

Nc1ccc2cc(-c3cc4ccccc4o3)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HBB P68871 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC2 Q92769 1/20 0.48

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
SCHEMBL6583412 0.88 ALOX5 (0.66) ALOX5MAOBMAOACA1CA2
SCHEMBL791728 0.86 MAOB (0.68) ALOX5MAOBMAOACA1CA2
SCHEMBL27001618 0.84 MAOB (0.66) ALOX5MAOBMAOACA1CA2
SCHEMBL6676481 0.83 MAOB (0.65) ALOX5MAOBMAOACA1CA2
SCHEMBL9812779 0.81 APP (0.57) ALOX5MAOBMAOACA1CA2
SCHEMBL5432580 0.80 ALOX5 (0.66) ALOX5MAOBMAOACA1CA2
SCHEMBL13991431 0.79 ALOX5 (0.55) ALOX5MAOBMAOACA1CA2
SCHEMBL4659168 0.78 MAOB (0.78) ALOX5MAOBMAOACA1CA2
SCHEMBL29705982 0.78 MAOB (0.54) ALOX5MAOBMAOACA1CA2
SCHEMBL6579774 0.78 APP (0.60) ALOX5MAOBMAOAALDH1A1CYP3A4

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
US-20230140749-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-05-04 US disclosed
US-20230140749-A1 Novel Compound and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2023-05-04 US disclosed
EP-4063367-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2022-09-28 EP 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

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-20230140749-A1 Novel Compound and Organic Light Emitting Device Comprising the Same ARL1, LAS1L, AR ALOX5 2050/4885MAOB 2104/4885MAOA 2183/4885
US-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 ALOX5 752/4885MAOB 122/4885MAOA 184/4885

“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.