SCHEMBL5885496

SCHEMBL5885496

C=C(CC(C)(C)C(=O)OCCO)C(=O)OCCO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TSHR P16473 3/20 0.34
THRB P10828 1/20 0.31

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
SCHEMBL21906607 0.92 CYP4F2 (0.42) CYP4F2CYP4A11TSHRTHRB
SCHEMBL10970971 0.90 CYP4F2 (0.40) CYP4F2CYP4A11TSHR
SCHEMBL17148450 0.85 CYP4F2 (0.31) CYP4F2CYP4A11TSHR
SCHEMBL230727 0.83 TSHR (0.38) TSHRTHRB
SCHEMBL1225944 0.83 TSHR (0.46) CYP4F2CYP4A11TSHRTHRB
SCHEMBL22475307 0.83 TSHR (0.41) TSHRTHRB
SCHEMBL19218033 0.79 TSHR (0.34) TSHRTHRB
SCHEMBL5936572 0.78
SCHEMBL18534324 0.77 TSHR (0.37) CYP4F2CYP4A11TSHR
SCHEMBL12907743 0.77 CYP4F2 (0.39) CYP4F2CYP4A11TSHR

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
US-4547323-A Synthesis of 2,2-dimethyl-4-methyleneglutaric acid and derivatives SCM CORPORATION (US) 1985-10-15 US claimed
US-9414996-B2 Dental compositions comprising addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-16 US disclosed
US-9414996-B2 Dental compositions comprising addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-16 US disclosed
US-9410030-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-09 US disclosed
US-9410030-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-08-09 US disclosed
US-20150283039-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-10-08 US disclosed
US-20150284538-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-10-08 US disclosed
US-20150284538-A1 ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-10-08 US disclosed
US-20150283039-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2015-10-08 US disclosed
WO-2014074427-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-15 WO disclosed
WO-2014074373-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-05-15 WO disclosed
US-7022762-B2 Method of emulsion polymerization AGFA-GEVAERT (BE) 2006-04-04 US disclosed
US-20060009574-A1 Method of emulsion polymerization AERT HUUB V 2006-01-12 US disclosed
US-20050020787-A1 Method of emulsion polymerization E.I. DU PONT DE NEMOURS AND COMPANY 2005-01-27 US disclosed
US-20040176527-A1 Method of emulsion polymerization BARCLAYS BANK PLC, AS COLLATERAL AGENT 2004-09-09 US disclosed
EP-1217010-B1 Method of emulsion polymerization AGFA GEVAERT (BE) 2004-08-18 EP disclosed
EP-1217010-A1 Method of emulsion polymerization Agfa-Gevaert (BE) 2002-06-26 EP disclosed
US-20020072580-A1 Method of emulsion polymerization E.I. DU PONT DE NEMOURS AND COMPANY 2002-06-13 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-20150284538-A1 ADDITION-FRAGMENTATION AGENTS CPSF1, CPSF7, FGB CYP4F2 331/4885CYP4A11 2063/4885TSHR 3918/4885
US-20150283039-A1 DENTAL COMPOSITIONS COMPRISING ADDITION-FRAGMENTATION AGENTS RAD51, TUBA8, ERCC4 CYP4F2 3834/4885CYP4A11 4406/4885TSHR 4850/4885

“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.