SCHEMBL476985

SCHEMBL476985

CC[N+](CC)(CC)CCO

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NFKB1 P19838 1/20 0.47
KCNA1 Q09470 1/20 0.47
KDM4E B2RXH2 1/20 0.44
PMP22 Q01453 1/20 0.44
ATM Q13315 1/20 0.44
DNM1 Q05193 6/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
SLC5A7 Q9GZV3 1/20 0.42
ALDH1A1 P00352 2/20 0.33
SLC22A1 O15245 1/20 0.33

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
Water SCHEMBL27490218 0.97 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Hydrochloric Acid SCHEMBL715477 0.97 KDM4E (0.50) TSHRNFKB1KCNA1KDM4EPMP22
Water SCHEMBL319959 0.97 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Iodide SCHEMBL2352341 0.97 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Fluoride Ion SCHEMBL17870608 0.97 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Bromide SCHEMBL8461151 0.97 MEN1 (0.47) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL1686196 0.93 TSHR (0.47) TSHRNFKB1KCNA1KDM4EPMP22
SCHEMBL1686254 0.93 TSHR (0.47) TSHRNFKB1KCNA1KDM4EPMP22
Water SCHEMBL2032857 0.90 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22
Water SCHEMBL3304873 0.90 TSHR (0.44) TSHRNFKB1KCNA1KDM4EPMP22

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 1038 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250385-A1 PRODUCTION OF POLYURETHANE OR POLYISOCYANURATE FOAM EVONIK OPERATIONS GMBH (DE) 2025-08-07 US claimed
EP-4596597-A1 PRODUCTION OF POLYURETHANE OR POLYISOCYANURATE FOAM Evonik Operations GmbH (DE) 2025-08-06 EP claimed
EP-4596596-A1 PRODUCTION OF POLYURETHANE OR POLYISOCYANURATE FOAM Evonik Operations GmbH (DE) 2025-08-06 EP claimed
US-20250230358-A1 COMPOSITION, METHOD FOR TREATING OBJECT TO BE TREATED, AND METHOD FOR MANUFACTURING SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2025-07-17 US claimed
CN-118613517-A Preparation and use of polyisocyanates containing iminooxadiazinedione groups 巴斯夫欧洲公司 2024-09-06 CN claimed
US-20240279574-A1 COMPOSITION AND METHOD FOR TREATING OBJECT TO BE TREATED FUJIFILM CORPORATION (JP) 2024-08-22 US claimed
WO-2024165361-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2024-08-15 WO claimed
CN-118146486-A Polyisocyanate composition containing isocyanurate structure with low color number, and preparation method and application thereof 万华化学集团股份有限公司 2024-06-07 CN claimed
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP claimed
WO-2024048241-A1 COMPOSITION, METHOD FOR TREATING OBJECT TO BE TREATED, AND MANUFACTURING METHOD FOR SEMICONDUCTOR DEVICE 富士フイルム株式会社 2024-03-07 WO claimed
WO-2006046065-A1 BOTULINUM TOXIN THERAPY OF HEART RHYTHM DISORDERS IPSEN LIMITED (GB) 2006-05-04 WO claimed
WO-2006024358-A1 TRIETHANOLAMIN PRODUCTION METHOD BASF AKTIENGESELLSCHAFT (DE) 2006-03-09 WO claimed
CN-1724626-A Composition for removing photoresist and/or etching residue from substrate and application thereof AIR PROD & CHEM (US) 2006-01-25 CN claimed
CN-1715389-A Composition for cleaning and cleansing and use thereof AIR PROD & CHEM (US) 2006-01-04 CN claimed
US-5457599-A Solute for electrolyte is quaternaryammonium salt of caboxylic acid selected from phthalic acid, tetrahydrophthalic acid, maleic acid, hexahydrophthalic acid or an alkyl or nitro substituent of above acids; high temperature stability MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1995-10-10 US claimed
EP-0408017-B1 DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1993-09-29 EP claimed
EP-0408017-A2 Delivery systems for quaternary and related compounds UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-01-16 EP claimed
US-4821153-A ORGANIC SOLVENT SOLUTION OF TETRAALKYLAMMONIUM SALT OF DICARBOXYLIC ACID MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD (JP) 1989-04-11 US claimed
EP-0122151-B1 PRODUCTION OF PRIMARY OR SECONDARY ALCOHOL DERIVATIVES OF PHOSPHOLIPIDS BY THE ENZYMATIC TECHNIQUE MEITO SANGYO KABUSHIKI KAISHA (JP) 1989-02-15 EP claimed
US-4659653-A PHOTOTHERMOGRAPHY; STORAGE STABLE BASE PRECURSOR FUJI PHOTO FILM CO., LTD. (JP) 1987-04-21 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-20250250385-A1 PRODUCTION OF POLYURETHANE OR POLYISOCYANURATE FOAM PUF60, PARN, SLC39A11 TSHR 4244/4885NFKB1 887/4885KCNA1 2202/4885

“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.