SCHEMBL2059972

SCHEMBL2059972

C=CCNC(=O)OCCC=C(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.32
FAAH O00519 1/20 0.32
ACHE P22303 5/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL10325237 0.80 FAAH (0.31) TSHRSMN1; SMN2MAPTFAAHHPGD
SCHEMBL21404674 0.79 ACHE (0.49) ACHE
SCHEMBL6249670 0.78 CHRNB2 (0.44) SMN1; SMN2CYP2D6CHRNB2CHRNA4
SCHEMBL6249674 0.78 CHRNB2 (0.44) SMN1; SMN2CYP2D6CHRNB2CHRNA4
SCHEMBL23111386 0.77 TSHR (0.46) TSHRSMN1; SMN2MAPTPKMFAAH
SCHEMBL22400737 0.77 ACHE (0.62) ACHE
SCHEMBL5185791 0.75 HRH4 (0.35) TSHRMAPTFAAHACHEKMT2A
SCHEMBL6266348 0.75 TSHR (0.48) TSHRSMN1; SMN2HPGDALDH1A1CYP3A4
SCHEMBL3793027 0.75 TSHR (0.48) TSHRSMN1; SMN2HPGDALDH1A1CYP3A4
SCHEMBL4458944 0.74 ACHE (0.47) TSHRSMN1; SMN2MAPTFAAHACHE

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512400-B1 Multicomponent system for producing a dental material MUEHLBAUER ERNST GMBH & CO KG (DE) 2013-09-25 EP disclosed
EP-2237763-B1 MATERIAL FOR BUILDING UP STUMPS MUEHLBAUER ERNST GMBH & CO KG (DE) 2013-05-15 EP disclosed
EP-2198824-B1 Polymerizable dental material with initiator system MUEHLBAUER ERNST GMBH & CO KG (DE) 2013-02-13 EP disclosed
US-8329776-B2 Dental composition containing a polyfunctional (meth)acrylate comprising urethane, urea or amide groups, method of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
US-20120259032-A1 MULTICOMPONENT SYSTEM FOR PRODUCING A DENTAL MATERIAL MUHLBAUER TECHNOLOGY GMBH (DE) 2012-10-11 US disclosed
US-20110053116-A1 DENTAL COMPOSITION CONTAINING A POLYFUNCTIONAL (METH)ACRYLATE COMPRISING URETHANE, UREA OR AMIDE GROUPS, METHOD OF PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2011-03-03 US disclosed
EP-2198824-A1 Polymerizable dental material with initiator system Ernst Mühlbauer GmbH & Co.KG (DE) 2010-06-23 EP disclosed
EP-2072028-A1 Stump construction Ernst Mühlbauer GmbH & Co.KG (DE) 2009-06-24 EP disclosed
EP-1720506-B1 FILLED POLYMERISABLE DENTAL MATERIAL AND METHOD FOR THE PRODUCTION THEREOF MUEHLBAUER ERNST GMBH & CO KG (DE) 2008-11-26 EP disclosed
EP-1913927-A1 Polymerisable dental material with nano-diamond Ernst Mühlbauer GmbH & Co.KG (DE) 2008-04-23 EP disclosed
EP-1570831-A1 Polymerisable dental material containing a filler Ernst Mühlbauer GmbH & Co.KG (DE) 2005-09-07 EP disclosed
EP-1267797-B1 TWO-COMPONENT DENTAL MATERIALS HAVING A LOW SETTING TEMPERATURE 3M ESPE AG (DE) 2005-08-24 EP disclosed
US-6852775-B1 Polymerizable dental compositions 3M ESPE AG (DE) 2005-02-08 US disclosed
EP-1194110-B1 POLYMERIZABLE DENTAL SUBSTANCE 3M ESPE AG (DE) 2004-12-29 EP disclosed
EP-1267797-A1 TWO-COMPONENT DENTAL MATERIALS HAVING A LOW SETTING TEMPERATURE 3M Espe AG (DE) 2003-01-02 EP disclosed
EP-1194110-A1 POLYMERIZABLE DENTAL SUBSTANCE ESPE Dental AG (DE) 2002-04-10 EP disclosed
WO-2001076536-A1 TWO-COMPONENT DENTAL MATERIALS HAVING A LOW SETTING TEMPERATURE 3M ESPE AG (DE) 2001-10-18 WO disclosed
WO-2000078271-A1 POLYMERIZABLE DENTAL SUBSTANCE 3M ESPE AG (DE) 2000-12-28 WO 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 (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-20110053116-A1 DENTAL COMPOSITION CONTAINING A POLYFUNCTIONAL (METH)ACRYLATE COMPRISING URETHANE, UREA OR AMIDE GROUPS, METHOD OF PRODUCTION AND USE THEREOF MUS81, MAT1A, SMCHD1 TSHR 3008/4885SMN1; SMN2 2574/4885MAPT 643/4885

“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.