SCHEMBL4451069

SCHEMBL4451069

c1ccc(-c2cc3ccc4cccc5ccc(c2-c2ccccc2)c3c45)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
ERBB2 P04626 1/20 0.52
FYN P06241 1/20 0.52
MAOA P21397 1/20 0.52
ACHE P22303 1/20 0.52
AHR P35869 1/20 0.52
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 4/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL27495767 0.98 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
Hydrogen Sulfide SCHEMBL28320580 0.98 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25413329 0.93 KMT2A (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28916632 0.90 CYP1A2 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28340900 0.87 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL308062 0.85 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL28831389 0.85 ESR1 (0.44) CYP1A2ERBB2FYNMAOAACHE
Ammonia Solution, Strong SCHEMBL27752672 0.83 ALDH1A1 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL11654321 0.83 CYP1A2 (0.57) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4451129 0.83 CYP1A2 (0.49) CYP1A2ERBB2FYNMAOAACHE

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454235-A Organic electroluminescent materials and devices 机光科技股份有限公司 2020-07-28 CN claimed
US-12517433-B2 Composition, resist underlayer film, method of forming film, method of producing patterned substrate, and compound JSR CORPORATION (JP) 2026-01-06 US disclosed
US-20240287261-A1 METHOD FOR PRODUCING POLYMERIC NANOFIBER AGGREGATE, POLYMERIC NANOFIBER AGGREGATE, UNIAXIALLY ORIENTED POLYMERIC NANOFIBER AGGREGATE SUBSTRATE, AND LASER DESORPTION/IONIZATION MASS SPECTROMETRY SUBSTRATE KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2024-08-29 US disclosed
CN-117603178-A Two anti-inflammatory compounds extracted from herba Alternantherae Alternifolia, and extraction method and application thereof 国药集团同济堂(贵州)制药有限公司 2024-02-27 CN disclosed
CN-112654599-B Preparation method of covalent organic framework material and defect repair method 浙江大学 2023-04-28 CN disclosed
CN-115505105-A High-performance alkaline polyelectrolyte membrane and preparation method thereof 中国科学技术大学 2022-12-23 CN disclosed
CN-111454235-B Organic electroluminescent materials and devices 机光科技股份有限公司 2022-08-12 CN disclosed
US-20220197144-A1 COMPOSITION, RESIST UNDERLAYER FILM, METHOD OF FORMING FILM, METHOD OF PRODUCING PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2022-06-23 US disclosed
US-11322339-B2 Sample plate for laser desorption/ionization mass spectrometry KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2022-05-03 US disclosed
CN-114341743-A Composition, resist underlayer film, method for forming resist underlayer film, method for producing patterned substrate, and compound JSR株式会社 2022-04-12 CN disclosed
CN-104946243-B Fluorene derivative, light-emitting component, luminescent device, electronic device and illuminating device 株式会社半导体能源研究所 2018-12-14 CN disclosed
CN-103840084-B Light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2017-12-15 CN disclosed
CN-104876825-B A kind of derivant of pyrene and its preparation method and application 北京印刷学院 2017-03-01 CN disclosed
CN-106465506-A Light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2017-02-22 CN disclosed
CN-106220606-A Aromatic amine derivant, light-emitting component, luminescent device, electronic device and illuminating device 株式会社半导体能源研究所 2016-12-14 CN disclosed
CN-102219774-B Aromatic amine derivative, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2016-09-21 CN disclosed
CN-102473848-A Organic electroluminescent element using pyrene derivative IDEMITSU KOSAN CO 2012-05-23 CN disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 US disclosed
US-6509109-B1 Increased luminance, prolonged lifetime; electron injection region with nitrogen free aromatic and a reducing dopant; light sources for displays, printer heads IDEMITSU KOSAN CO., LTD. (JP) 2003-01-21 US disclosed
EP-0949696-A2 Organic electroluminescent device IDEMITSU KOSAN COMPANY LIMITED (JP) 1999-10-13 EP 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP CYP1A2 49/4885ERBB2 3775/4885FYN 2913/4885
US-20220197144-A1 COMPOSITION, RESIST UNDERLAYER FILM, METHOD OF FORMING FILM, METHOD OF PRODUCING PATTERNED SUBSTRATE, AND COMPOUND FEM1B, FN1, ASH2L CYP1A2 697/4885ERBB2 1381/4885FYN 2458/4885

“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.