SCHEMBL25063

SCHEMBL25063

[c]1ccc2ccc3ccccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 5/20 0.57
CYP2A6 P11509 4/20 0.57
TSHR P16473 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
HPRT1 P00492 3/20 0.52
HIF1A Q16665 1/20 0.48
CYP1B1 Q16678 1/20 0.48
PAX8 Q06710 1/20 0.43
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 4/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
HPGD P15428 3/20 0.37
THRB P10828 1/20 0.37
KEAP1 Q14145 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
SCHEMBL535007 0.96 HPRT1 (0.61) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL28357702 0.96 HPRT1 (0.61) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL578564 0.87 ALDH1A1 (0.33) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL25413 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL845033 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL27528926 0.84 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL535742 0.83 ALDH1A1 (0.33) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL398847 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL22344178 0.83 HSD17B10 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2408469 0.82 HPRT1 (0.39) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

Appears in 6003 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US claimed
US-20240190901-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-13 US claimed
CN-117980304-A Amine compound and organic electroluminescent element using same 保土谷化学工业株式会社 2024-05-03 CN claimed
EP-3281238-B1 SEMICONDUCTING MATERIAL COMPRISING A PHOSPHINE OXIDE MATRIX AND METAL SALT NOVALED GMBH (DE) 2024-04-24 EP claimed
EP-3378853-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2024-04-17 EP claimed
CN-115557879-B Compound and organic electronic device comprising same 株式会社LG化学 2024-02-20 CN claimed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US claimed
CN-117304374-A Olefin polymerization metallocene catalyst composition, and preparation and application thereof 中国石油天然气股份有限公司 2023-12-29 CN claimed
WO-2023246009-A1 OLEFIN POLYMERIZATION METALLOCENE CATALYST COMPOSITION, PREPARATION THEREOF AND USE THEREOF 中国石油天然气股份有限公司 2023-12-28 WO claimed
WO-2023246840-A1 COMBINATION OF IL-12 AND OX40L FOR CANCER IMMUNOTHERAPY WUHAN HOUXIAN BIOPHARMACEUTICAL CO. LTD. (CN) 2023-12-28 WO claimed
WO-1993007137-A1 PYRIDINOL DERIVATIVES AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1993-04-15 WO claimed
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP claimed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO claimed
EP-0297435-B1 AMINOPROPANOL DERIVATIVES OF 3-(3'-HYDROXYPHENYL)-1-PROPANONE, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Helopharm W. Petrik GmbH & Co.KG. (DE) 1991-10-16 EP claimed
EP-0199151-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-11-07 EP claimed
EP-0194764-B1 PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-07-12 EP claimed
EP-0296265-A1 Aminopropanol derivatives of 3-(3-hydroxyphenyl)-1-propanone, process for their preparation and medicines containing these compounds Helopharm W. Petrik GmbH & Co.KG. (DE) 1988-12-28 EP claimed
US-4623661-A HYDROXAMIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1986-11-18 US claimed
EP-0199151-A2 Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1986-10-29 EP claimed
EP-0194764-A1 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-09-17 EP claimed