SCHEMBL5906591

SCHEMBL5906591

C=CC(=O)OCCOC#N

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
ALDH1A1 P00352 4/20 0.59
TP53 P04637 3/20 0.59
HIF1A Q16665 3/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP3A4 P08684 2/20 0.54
HPGD P15428 1/20 0.48
THRB P10828 3/20 0.44
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL26307218 0.94 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12709043 0.88 TSHR (0.61) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18854242 0.87 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18854246 0.85 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18854240 0.84 TSHR (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18828854 0.83 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18828929 0.82 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18828930 0.82 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL18854247 0.82 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.82 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4296290-A1 COMPOSITION, OPTICALLY MOLDED ARTICLE, AND DENTAL PRODUCT MITSUI CHEMICALS, INC. (JP) 2023-12-27 EP disclosed
US-20230331899-A1 REACTIVE POLYURETHANE ELASTOMER BASF SE (DE) 2023-10-19 US disclosed
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US disclosed
WO-2023190335-A1 ELECTROCHEMICAL DEVICE, AND ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE 株式会社レゾナック 2023-10-05 WO disclosed
WO-2023190363-A1 ELECTROCHEMICAL DEVICE, AND ELECTROLYTE FOR ELECTROCHEMICAL DEVICE 株式会社レゾナック 2023-10-05 WO disclosed
EP-3603607-B1 MULTIFUNCTIONAL MONOMER FOR DENTAL MATERIAL, AND HYDROXYL GROUP-CONTAINING MONOMER FOR DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2023-09-20 EP disclosed
US-20230193070-A1 FLUORINATED COUPLING AGENTS AND FLUORINATED (CO)POLYMER LAYERS MADE USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2023-06-22 US disclosed
WO-2023008569-A1 ELECTROCHEMICAL DEVICE, ELECTROLYTE SOLUTION, AND ADDITIVE USED FOR ELECTROLYTE SOLUTION 昭和電工マテリアルズ株式会社 2023-02-02 WO disclosed
US-20230027085-A1 PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING CURED PRODUCT OF FLUORORESIN, FLUORORESIN, FLUORORESIN FILM, BANK AND DISPLAY ELEMENT CENTRAL GLASS COMPANY, LIMITED (JP) 2023-01-26 US disclosed
US-20210147369-A1 ACRYLATED UVA AND METHOD OF MAKING THE SAME MADICO, INC. 2021-05-20 US disclosed
CN-101401038-A Photosensitive composition, photosensitive film, photosensitive laminate, method for forming permanent pattern, and printed wiring board FUJIFILM CORP (JP) 2009-04-01 CN disclosed
US-20060099338-A1 Thermally-formable and cross-linkable precursor of a thermally conductive material 3M INNOVATIVE PROPERTIES COMPANY 2006-05-11 US disclosed
EP-1587892-A1 THERMALLY-FORMABLE AND CROSS-LINKABLE PRECURSOR OF A THERMALLY CONDUCTIVE MATERIAL 3M Innovative Properties Company (US) 2005-10-26 EP disclosed
WO-2004061036-A1 THERMALLY-FORMABLE AND CROSS-LINKABLE PRECURSOR OF A THERMALLY CONDUCTIVE MATERIAL 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed
EP-1433829-A1 Thermally-formable and cross-linkable precursor of a thermally conductive material 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
WO-2004011352-A1 METHOD FOR STABILIZING STACKS OF GOODS ON SUPPORTING SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-02-05 WO disclosed
EP-1386863-A1 Method for stabilizing stacks of goods on supporting substrates 3M Innovative Properties Company (US) 2004-02-04 EP disclosed
US-4785064-A URETHANE ACRYLATE AND POLYACRYLATE ESTER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-11-15 US disclosed
US-4650845-A SHRINKAGE-INHIBITED OPTICAL CASTINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-03-17 US disclosed
EP-0168226-A2 Ultra-violet light curable compositions for abrasion resistant articles MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1986-01-15 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 (3 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-20230193070-A1 FLUORINATED COUPLING AGENTS AND FLUORINATED (CO)POLYMER LAYERS MADE USING THE SAME ESD, FMNL1, AFF2 TSHR 2041/4885ALDH1A1 3351/4885TP53 3996/4885
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT TSHR 2948/4885ALDH1A1 1173/4885TP53 2612/4885
US-20210147369-A1 ACRYLATED UVA AND METHOD OF MAKING THE SAME UNG, UMPS, UGT1A7 TSHR 3545/4885ALDH1A1 22/4885TP53 1295/4885

“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.