SCHEMBL4547729

SCHEMBL4547729

O=Cc1ccc(-c2c3ccccc3c(-c3ccc(C=O)cc3)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP2A6 P11509 3/20 0.52
BRD4 O60885 1/20 0.44
DRD1 P21728 4/20 0.43
KIF11 P52732 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
KDM4E B2RXH2 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
TYR P14679 1/20 0.38

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
SCHEMBL16381821 0.96 ALDH1A1 (0.54) ALDH1A1CYP2A6BRD4DRD1KIF11
SCHEMBL4827497 0.90 ALDH1A1 (0.43) ALDH1A1CYP2A6BRD4DRD1KIF11
SCHEMBL30800593 0.86 ALOX5 (0.50) ALDH1A1CYP2A6BRD4DRD1KIF11
SCHEMBL4821274 0.86 ALOX5 (0.50) ALDH1A1CYP2A6BRD4DRD1KIF11
SCHEMBL15607128 0.85 ALDH1A1 (0.43) ALDH1A1CYP2A6BRD4DRD1KIF11
SCHEMBL28317728 0.85 HDAC2 (0.41) ALDH1A1CYP2A6BRD4DRD1KIF11
SCHEMBL6693950 0.85 ALDH1A1 (0.66) ALDH1A1CYP2A6DRD1
SCHEMBL28318765 0.85 ALDH1A1 (0.66) ALDH1A1CYP2A6KDM4E
SCHEMBL26372840 0.84 DRD1 (0.41) ALDH1A1CYP2A6DRD1KDM4EDRD2
SCHEMBL22367087 0.83 ALDH1A1 (0.44) ALDH1A1CYP2A6BRD4DRD1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119139943-A Triazine covalent organic framework film and preparation method and application thereof 天津大学浙江研究院 2024-12-17 CN claimed
CN-118359779-A Sp derived from carbonyl monomer2Carbon conjugated polymer and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2024-07-19 CN claimed
CN-119139943-A Triazine covalent organic framework film and preparation method and application thereof 天津大学浙江研究院 2024-12-17 CN disclosed
WO-2023097995-A1 APPLICATION OF COMPOUND IN SOLAR CELL 西安隆基乐叶光伏科技有限公司 2023-06-08 WO disclosed
WO-2023097995-A1 APPLICATION OF COMPOUND IN SOLAR CELL 西安隆基乐叶光伏科技有限公司 2023-06-08 WO disclosed
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SK MATERIALS JNC CO., LTD. (KR) 2022-05-24 US disclosed
CN-114335346-A Application of compound in solar cell 西安隆基乐叶光伏科技有限公司 2022-04-12 CN disclosed
CN-110229055-A Conversion of white light system on anthracene derivant and dim light with conversion of white light emission characteristics in wide spectrum 苏州科技大学 2019-09-13 CN disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME JNC CORPORATION (JP) 2018-07-26 US disclosed
EP-2440552-B1 N-TYPE ORGANIC SEMICONDUCTORS INCLUDING AT LEAST TWO 2-DICYANOMETHYLENE-3-CYANO-2,5-DIHYDROFURAN GROUPS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-06-18 EP disclosed
US-20120116084-A1 N-TYPE ORGANIC SEMICONDUCTORS INCLUDING AT LEAST TWO 2-DICYANOMETHYLENE-3-CYANO-2,5-DIHYDROFURAN GROUPS Commisariat A L'Energie Atomique ET Aux Ene Alt (FR) 2012-05-10 US disclosed
US-20120116084-A1 N-TYPE ORGANIC SEMICONDUCTORS INCLUDING AT LEAST TWO 2-DICYANOMETHYLENE-3-CYANO-2,5-DIHYDROFURAN GROUPS Commisariat A L'Energie Atomique ET Aux Ene Alt (FR) 2012-05-10 US disclosed
WO-2010142864-A1 N-TYPE ORGANIC SEMICONDUCTORS INCLUDING AT LEAST TWO 2-DICYANOMETHYLENE-3-CYANO-2,5-DIHYDROFURAN GROUPS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-12-16 WO disclosed
US-20070155981-A1 Arylene derivative and organic light emitting device manufactured using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-07-05 US disclosed
US-20070155981-A1 Arylene derivative and organic light emitting device manufactured using the same SAMSUNG DISPLAY CO., LTD. (KR) 2007-07-05 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 (3 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-20120116084-A1 N-TYPE ORGANIC SEMICONDUCTORS INCLUDING AT LEAST TWO 2-DICYANOMETHYLENE-3-CYANO-2,5-DIHYDROFURAN GROUPS NIT2, NOTCH2, DDT ALDH1A1 975/4885CYP2A6 1524/4885BRD4 2056/4885
US-11342511-B2 Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same SLC7A5, EML4, ARNT ALDH1A1 1266/4885CYP2A6 2424/4885BRD4 3140/4885
US-20180212156-A1 AZOLINE RING-CONTAINING COMPOUND, ELECTRON TRANSPORT/INJECTION LAYER MATERIAL CONTAINING THE SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SLC7A5, EML4, ARNT ALDH1A1 1266/4885CYP2A6 2424/4885BRD4 3140/4885

“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.