SCHEMBL6061809

SCHEMBL6061809

N#C[C@H](O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 1.00
TRPA1 O75762 1/20 0.52
LMNA P02545 5/20 0.42
MAPK1 P28482 2/20 0.42
AOC3 Q16853 3/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL21114421 1.00 TSHR (1.00) TSHRTRPA1LMNAMAPK1AOC3
SCHEMBL196731 1.00 TSHR (1.00) TSHRTRPA1LMNAMAPK1AOC3
SCHEMBL1820543 1.00 TSHR (1.00) TSHRTRPA1LMNAMAPK1AOC3
Acetic Acid SCHEMBL7763816 0.89 TSHR (0.79) TSHRTRPA1LMNAMAPK1CACNA2D1
SCHEMBL6056000 0.89 TSHR (0.79) TSHRTRPA1LMNAALDH1A1SMN1; SMN2
Benzoic Acid SCHEMBL16058242 0.87 TSHR (0.76) TSHRTRPA1LMNAMAPK1ALDH1A1
SCHEMBL8019014 0.86 TSHR (0.75) TSHRTRPA1ALDH1A1
Dimethylketone Cyanohydrin SCHEMBL6357582 0.85 TSHR (0.73) TSHRTRPA1LMNAMAPK1AOC3
Pentane SCHEMBL28983003 0.85 TSHR (0.73) TSHRTRPA1LMNAAOC3CACNA2D1
Mandelic Acid SCHEMBL5320867 0.85 TSHR (0.73) TSHRTRPA1LMNAMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 CN claimed
JP-61005794-A None JP disclosed
JP-5112518-A None JP disclosed
US-20250196115-A1 MAGNETIC MACROPOROUS POLYMERIC HYBRID SCAFFOLDS FOR IMMOBILIZING BIONANOCATALYSTS ZYMTRONIX CATALYTIC SYSTEMS, INC. (US) 2025-06-19 US disclosed
CN-119776329-A Nitrilase mutant and application thereof in hydrolysis of pyridine nitrile derivatives 浙江工业大学 2025-04-08 CN disclosed
US-20250027882-A1 POLYMER DYE FOR DETECTING HYDROGEN PEROXIDE AND HYDROGEN PEROXIDE DETECTING MATERIAL CANON KK (JP) 2025-01-23 US disclosed
US-12140549-B2 Polymer dye for detecting hydrogen peroxide and structure for detecting hydrogen peroxide CANON KABUSHIKI KAISHA (JP) 2024-11-12 US disclosed
CN-118910023-A Nitrilase mutant and application thereof in production of D-mandelic acid 南京红杉生物科技有限公司 2024-11-08 CN disclosed
EP-3856900-B1 PRINTABLE MAGNETIC POWDERS AND 3D PRINTED OBJECTS FOR BIONANOCATALYST IMMOBILIZATION ZYMTRONIX CATALYTIC SYSTEMS INC (US) 2024-09-25 EP disclosed
US-20240282401-A1 METHODS FOR ENZYME ENGINEERING THE UNIVERSITY OF MANCHESTER (GB) 2024-08-22 US disclosed
EP-0554933-A1 Method of preparing vicinal aminoalcohols DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1993-08-11 EP disclosed
JP-H05112518-A PRODUCTION OF OPTICALLY ACTIVE CYANOHYDRIN COMPOUNDS IN HIGH EFFICIENCY KANEGAFUCHI CHEM IND CO LTD 1993-05-07 JP disclosed
EP-0148272-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BENZYL ALCOHOL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
US-5003083-A Aldehyde Cyanation in presence of a Titanate KANEGAFUCHI CHEMICAL INDUSTRY, CO., LTD. (JP) 1991-03-26 US disclosed
US-4985365-A WITH AN ESTERASE FROM A MICROORGANISM, ASSYMETRIC HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1991-01-15 US disclosed
WO-1990012794-A1 ENANTIOMER-FREE 1,2-AMINOALCOHOLS ACETALICALLY PROTECTED ON THE OXYGEN, THEIR PRODUCTION AND USE NOE CHRISTIAN R (AT) 1990-11-01 WO disclosed
EP-0322973-A2 Method of preparing optically active cyanohydrin derivatives and their conversion products, and optically active compounds to be obtained in this manner DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-07-05 EP disclosed
EP-0271868-A2 Process for preparing optically active cyano compound Kanegafuchi Chemical Industry Co., Ltd. (JP) 1988-06-22 EP disclosed
JP-S615794-A PRODUCTION OF OPTICALLY ACTIVE BENZYL ALCOHOL DERIVATIVE SUMITOMO CHEM CO LTD 1986-01-11 JP disclosed
EP-0148272-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BENZYL ALCOHOL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-07-17 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-12140549-B2 Polymer dye for detecting hydrogen peroxide and structure for detecting hydrogen peroxide MPO, GPX4, LPO TSHR 2483/4885TRPA1 4224/4885LMNA 2932/4885
US-20250027882-A1 POLYMER DYE FOR DETECTING HYDROGEN PEROXIDE AND HYDROGEN PEROXIDE DETECTING MATERIAL MPO, GPX4, LPO TSHR 2962/4885TRPA1 3779/4885LMNA 2927/4885

“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.