SCHEMBL679626

SCHEMBL679626

BrCc1ccc(-c2ccc(CBr)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TRPA1 O75762 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HRH3 Q9Y5N1 7/20 0.47
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TAAR1 Q96RJ0 2/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
ABCC4 O15439 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PTGS1 P23219 1/20 0.35
HTT P42858 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAOB P27338 2/20 0.33
PTPN1 P18031 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL9609757 1.00 TSHR (0.56) TSHRTRPA1ALDH1A1HRH3CES2
Water SCHEMBL11481683 0.97 TSHR (0.53) TSHRTRPA1ALDH1A1HRH3CES2
Methane SCHEMBL11480910 0.97 TSHR (0.53) TSHRTRPA1ALDH1A1HRH3CES2
SCHEMBL31377005 0.91 ALDH1A1 (0.48) TSHRTRPA1ALDH1A1HRH3CES2
SCHEMBL10049247 0.91 TRPA1 (0.48) TSHRTRPA1ALDH1A1HRH3CES2
SCHEMBL131361 0.89 ALDH1A1 (0.67) TSHRTRPA1ALDH1A1HRH3CES2
SCHEMBL71123 0.88 ALDH1A1 (0.68) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL1374017 0.88 ALDH1A1 (0.68) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL3362246 0.88 ALDH1A1 (0.50) TSHRTRPA1ALDH1A1HRH3CES2
SCHEMBL12187710 0.86 HRH3 (0.46) TSHRTRPA1ALDH1A1HRH3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118895116-A Preparation method of oil-free phase temperature-resistant shearing-resistant fracturing fluid 陕西志详拓实业有限公司 2024-11-05 CN claimed
CN-116284524-B Super-crosslinked porous polyionic liquid with high ionic liquid content, preparation method and application 合肥学院 2024-10-18 CN claimed
CN-118416947-A High-selectivity ionic polymer catalytic material and preparation and application thereof 福州大学 2024-08-02 CN claimed
CN-118344586-A Ion covalent organic polymer material and preparation method and application thereof 河北工程大学 2024-07-16 CN claimed
CN-118056852-A Carbazolyl porous organic framework material and preparation method and application thereof 右江民族医学院 2024-05-21 CN claimed
CN-114814041-B Method for detecting brominated alkanes genotoxic impurities in telmisartan by adopting liquid chromatography-mass spectrometer 浙江金立源药业有限公司 2024-05-10 CN claimed
CN-114907376-B Molecular machine based on bi-m-benzene-32-crown-10 main body cave ether and preparation method thereof 浙江大学杭州国际科创中心 2024-01-23 CN claimed
CN-116277696-B Multilayer heat-insulating pipe and production process thereof 河北乾海管道制造有限公司 2023-09-22 CN claimed
CN-116463697-A Surface oxidation-resistant corrosion-resistant coating treatment process for semiconductor lead frame 崇辉半导体(江门)有限公司 2023-07-21 CN claimed
CN-116463693-A Treatment method for improving stability of semiconductor lead frame plating layer 崇辉半导体(江门)有限公司 2023-07-21 CN claimed
CN-112245593-B Stabilized cell penetrating peptide with hydrophobic side chain, preparation method and application 西南交通大学 2022-05-13 CN claimed
CN-114380828-A Synthetic method and application of perylene diimide-based bicyclic compound 北京理工大学 2022-04-22 CN claimed
CN-113755475-A ACE2 cyclopeptide mimic and application thereof in inhibiting new coronavirus 西南医科大学附属中医医院 2021-12-07 CN claimed
CN-108358997-A A kind of stabilization polypeptide that intracellular that modifying construction of strategy using double sulfosalts is reversible 北京大学深圳研究生院 2018-08-03 CN claimed
EP-2181854-B1 THERMOSENSITIVE RECORDING MATERIAL NICCA CHEMICAL CO (JP) 2012-08-15 EP claimed
US-7078465-B2 Reacting paraformaldehyde with hydrogen bromide to form bis-bromomethyl ether as chemical intermediates; reacting biphenyl to form 4,4'-bis-(bromomethyl)-biphenyl, futher reacting with triethylphosphite to form 4,4'-bis-(diethylphosphonomethyl)-biphenyl; less hazardous, two stage processes MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 2006-07-18 US claimed
US-20040242799-A1 Reacting paraformaldehyde with hydrogen bromide to form bis-bromomethyl ether as chemical intermediates; reacting biphenyl to form 4,4'-bis-(bromomethyl)-biphenyl, futher reacting with triethylphosphite to form 4,4'-bis-(diethylphosphonomethyl)-biphenyl; less hazardous, two stage processes MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2004-12-02 US claimed
EP-1421050-A1 PROCESS TO BROMOMETHYLATE AROMATIC COMPOUNDS MAKHTESHIM CHEMICAL WORKS LIMITED (IL) 2004-05-26 EP claimed
WO-2003018518-A1 PROCESS TO BROMOMETHYLATE AROMATIC COMPOUNDS MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2003-03-06 WO claimed
US-4070340-A GREEN STRENGTH POLYSAR LIMITED (CA) 1978-01-24 US claimed

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-20040242799-A1 Reacting paraformaldehyde with hydrogen bromide to form bis-bromomethyl ether as chemical intermediates; reacting biphenyl to form 4,4'-bis-(bromomethyl)-biphenyl, futher reacting with triethylphosphite to form 4,4'-bis-(diethylphosphonomethyl)-biphenyl; less hazardous, two stage processes FGB, FHIT, PBRM1 TSHR 1145/4885TRPA1 2369/4885ALDH1A1 969/4885

“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.