SCHEMBL681479

SCHEMBL681479

CCCCC(CC)CNC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.70
ALDH1A1 P00352 5/20 0.70
CYP3A4 P08684 5/20 0.70
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.43
CA2 P00918 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 3/20 0.39
GLA P06280 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13213457 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL8341705 0.93 ALDH1A1 (0.60) TSHRALDH1A1CYP3A4TDP1KDM4E
Diethylamine SCHEMBL27892993 0.91 TSHR (0.65) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL25992548 0.91 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL18426286 0.91 ALDH1A1 (0.58) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL24850584 0.90 ALDH1A1 (0.54) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL21166540 0.89 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL22663678 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4TDP1KDM4E
SCHEMBL24850078 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4TDP1CA2
SCHEMBL10306197 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413929-B1 MIXTURE OF PEROXY COMPOUND AND AMINE BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US claimed
EP-0672739-B1 THERMOREVERSIBLE THICKENER SANYO CHEMICAL IND LTD (JP) 2001-01-03 EP claimed
US-5658981-A WITH WATER SOLUBLE POLYMER THAT CONTAINS MONOMER THAT IS THE REACTION PRODUCT OF A POLYALKYLENE OXIDE, A CYCLIC OR ACYCLIC AMINE AND AN UNSATURATED ACID, OPTIONALLY CONTAINING A COMONOMER SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-19 US claimed
EP-4532642-B1 NEW LOW VISCOSITY FUNCTIONAL FLUIDS BASF SE (DE) 2026-04-22 EP disclosed
EP-4532642-A1 NEW LOW-VISCOSITY FUNCTIONAL LIQUIDS BASF SE (DE) 2025-04-09 EP disclosed
US-20250002445-A1 Optimized process for manufacturing methyl methacrylate LYGIN ALEXANDER (DE) 2025-01-02 US disclosed
WO-2024123528-A1 PROCESS FOR PREPARING ALKYL METHACRYLATES DOW GLOBAL TECHNOLOGIES LLC (US) 2024-06-13 WO disclosed
CN-115003775-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-03-19 CN disclosed
US-11919846-B2 Continuous process for preparing methacrolein RÖHM GMBH (DE) 2024-03-05 US disclosed
US-11905239-B2 Process for producing methacrylic acid or methacrylic acid esters RÖHM GMBH (DE) 2024-02-20 US disclosed
CN-114787288-B Colorant for heat transfer fluid and composition containing same KD精细化工有限公司 2024-02-13 CN disclosed
WO-1985000617-A1 QUATERNARY AMMONIUM SALTS USEFUL AS FABRIC SOFTENERS AKZONA INCORPORATED (US) 1985-02-14 WO disclosed
US-4496770-A REACTING ALKANAL WITH FORMALDEHYDE IN PRESENCE OF SECONDARY AMINE BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0092097-B1 PROCESS FOR THE PREPARATION OF ALPHA-ALKYL ACROLEINS BASF Aktiengesellschaft (DE) 1985-01-16 EP disclosed
EP-0092097-A1 Process for the preparation of alpha-alkyl acroleins BASF Aktiengesellschaft (DE) 1983-10-26 EP disclosed
EP-0031924-B1 USE OF ALCANOL-AMINE SALTS OF CYCLIC AMIDOCARBOXYLIC ACIDS AS CORROSION INHIBITORS IN AQUEOUS SYSTEMS BASF Aktiengesellschaft (DE) 1983-05-18 EP disclosed
EP-0031924-A1 Use of alcanol-amine salts of cyclic amidocarboxylic acids as corrosion inhibitors in aqueous systems BASF Aktiengesellschaft (DE) 1981-07-15 EP disclosed
US-4217460-A Isolation of formic acid from its aqueous solutions BASF AKTIENGESELLSCHAFT (DE) 1980-08-12 US disclosed
US-4154779-A HIGH PRESSURE LUBRICANT ADDITIVE, CORROSION RESISTANT; SULFURIZATION, PHOSPHORIZATION, NEUTRALIZATION RHEIN-CHEMIE RHEINAU GMBH (DE) 1979-05-15 US disclosed
US-3953346-A Tertiary diamide lubricants SUN VENTURES, INC. (US) 1976-04-27 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 (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-20250002445-A1 Optimized process for manufacturing methyl methacrylate AS3MT, MSMO1, MAT2B TSHR 3807/4885ALDH1A1 847/4885CYP3A4 119/4885
US-11919846-B2 Continuous process for preparing methacrolein MANBA, FUCA2, ACR TSHR 4343/4885ALDH1A1 144/4885CYP3A4 897/4885

“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.