SCHEMBL13834166

SCHEMBL13834166

C=C(C)C(=O)OC(C)N(CCO)C(C)OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL10697665 0.81 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL11344209 0.77 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL11465609 0.76 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL11319419 0.75 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL516498 0.74 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL9485417 0.74 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL14983 0.74 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL8401742 0.74 TSHR (0.43) TSHRALDH1A1THRB
Ethylene Glycol SCHEMBL26980978 0.74 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL4344494 0.74 TSHR (0.38) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441821-B2 (Meth)acrylate and use thereof MITSUI CHEMICALS, INC. (JP) 2025-10-14 US disclosed
US-20250122315-A1 (METH)ACRYLATE AND USE THEREOF MITSUI CHEMICALS, INC. (JP) 2025-04-17 US disclosed
EP-3603606-B1 ADHESIVE MONOMER FOR DENTAL MATERIAL MITSUI CHEMICALS INC (JP) 2024-11-13 EP disclosed
EP-3719043-B1 (METH)ACRYLATE, MONOMER COMPOSITION, DENTAL MATERIAL OBTAINED FROM SAID COMPOSITION, AND PRODUCTION METHOD THEREOF MITSUI CHEMICALS INC (JP) 2024-11-13 EP disclosed
US-12098236-B2 Monomer composition and production method thereof, raw material composition, curable composition, and molded body MITSUI CHEMICALS, INC. (JP) 2024-09-24 US disclosed
US-12006382-B2 (Meth)acrylate, monomer composition for dental material, molded body, composition for dental material, dental material, and method of manufacturing (meth)acrylate MITSUI CHEMICALS, INC. (JP) 2024-06-11 US disclosed
EP-3604318-B1 PHOSPHORUS-CONTAINING COMPOUND MITSUI CHEMICALS INC (JP) 2024-01-17 EP disclosed
US-20240002603-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION WITH DARK PART CURABILITY TOAGOSEI CO., LTD. (JP) 2024-01-04 US disclosed
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers MITSUI CHEMICALS, INC. (JP) 2023-10-17 US 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-20170181932-A1 DENTAL POLYMERIZABLE MONOMER COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2017-06-29 US disclosed
US-20170174621-A1 DENTAL POLYMERIZABLE MONOMERS MITSUI CHEMICALS, INC. (JP) 2017-06-22 US disclosed
EP-3135270-A1 POLYMERIZABLE MONOMER FOR DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2017-03-01 EP disclosed
EP-3135271-A1 POLYMERIZABLE MONOMER COMPOSITION FOR DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2017-03-01 EP disclosed
US-9511004-B2 Dental material, dental material composition, dental restorative material, and cured product MITSUI CHEMICALS, INC. (JP) 2016-12-06 US disclosed
US-9504632-B2 Compound, composition comprising the compound and cured product MITSUI CHEMICALS, INC. (JP) 2016-11-29 US disclosed
EP-2710994-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL REPAIR MATERIAL, AND CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2014-03-26 EP disclosed
EP-2711381-A1 NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2014-03-26 EP disclosed
US-20120296061-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE COMPOUND AND CURED PRODUCT MITSUI CHEMICALS, INC. (JP) 2012-11-22 US disclosed
US-20120296003-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL RESTORATIVE MATERIAL, AND CURED PRODUCT MITSUI CHEMICALS, INC (JP) 2012-11-22 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 (9 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-12098236-B2 Monomer composition and production method thereof, raw material composition, curable composition, and molded body MMAB, MAT1A, ACMSD TSHR 4671/4885ALDH1A1 671/4885THRB 2589/4885
US-20170181932-A1 DENTAL POLYMERIZABLE MONOMER COMPOSITIONS CAD, SMCHD1, ACR TSHR 4078/4885ALDH1A1 274/4885THRB 2300/4885
US-12006382-B2 (Meth)acrylate, monomer composition for dental material, molded body, composition for dental material, dental material, and method of manufacturing (meth)acrylate MMAB, ACR, MAT2B TSHR 2005/4885ALDH1A1 244/4885THRB 916/4885
US-11786444-B2 Dental polyfunctional monomers and dental hydroxyl group-containing monomers PAM, CAD, FHIT TSHR 2948/4885ALDH1A1 1173/4885THRB 873/4885
US-20250122315-A1 (METH)ACRYLATE AND USE THEREOF TST, MMAB, BHMT2 TSHR 2952/4885ALDH1A1 144/4885THRB 1006/4885
US-12441821-B2 (Meth)acrylate and use thereof TST, MMAB, BHMT2 TSHR 2952/4885ALDH1A1 144/4885THRB 1006/4885
US-20170174621-A1 DENTAL POLYMERIZABLE MONOMERS CAD, SMCHD1, SDAD1 TSHR 4774/4885ALDH1A1 357/4885THRB 4137/4885
US-20120296061-A1 NOVEL COMPOUND, COMPOSITION COMPRISING THE COMPOUND AND CURED PRODUCT GGPS1, FDFT1, FDPS TSHR 4869/4885ALDH1A1 916/4885THRB 4689/4885
US-20120296003-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL RESTORATIVE MATERIAL, AND CURED PRODUCT CAD, SEM1, REV1 TSHR 4854/4885ALDH1A1 181/4885THRB 3734/4885

“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.