SCHEMBL4427150

SCHEMBL4427150

C=CCc1cc(Cl)cc(Cl)c1OCCCCCOc1c(Cl)cc(Cl)cc1CC=C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12670376 0.96 PTGDR (0.41) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL12670369 0.92 POLB (0.41) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL12670371 0.92 PTGDR (0.41) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL12670365 0.90 PTGDR (0.39) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL12670383 0.88 POLB (0.41) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL4432897 0.86 HSD17B10 (0.41) PTGDRPTGDR2POLBALDH1A1MAPT
SCHEMBL12670381 0.84 CYP1A2 (0.50) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL12670380 0.83 MAPT (0.44) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL12670374 0.81 MAPT (0.52) PTGDRPTGDR2POLBKDM4EALDH1A1
SCHEMBL13928613 0.80 MAPT (0.38) PTGDRPTGDR2POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939580-B2 Dental composition containing epoxy functional polymerizable compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-7939580-B2 Dental composition containing epoxy functional polymerizable compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-7825167-B2 Dental composition containing unsaturated halogenated aryl alkyl ether components 3M ESPE AG (DE) 2010-11-02 US disclosed
US-7825167-B2 Dental composition containing unsaturated halogenated aryl alkyl ether components 3M ESPE AG (DE) 2010-11-02 US disclosed
EP-1776079-B1 DENTAL COMPOSITION CONTAINING EPOXY FUNCTIONAL POLYMERIZABLE COMPOUNDS 3M ESPE AG (DE) 2010-10-06 EP disclosed
EP-1765262-B1 DENTAL COMPOSITION CONTAINING UNSATURATED HALOGENATED ARYL ALKYL ETHER COMPONENTS 3M ESPE AG (DE) 2009-03-04 EP disclosed
EP-1765262-B1 DENTAL COMPOSITION CONTAINING UNSATURATED HALOGENATED ARYL ALKYL ETHER COMPONENTS 3M ESPE AG (DE) 2009-03-04 EP disclosed
US-20080319102-A1 Dental Composition Containing Epoxy Functional Polymerizable Compounds 3M DEUTSCHLAND GMBH (DE) 2008-12-25 US disclosed
US-20080319102-A1 Dental Composition Containing Epoxy Functional Polymerizable Compounds 3M DEUTSCHLAND GMBH (DE) 2008-12-25 US disclosed
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components 3M DEUTSCHLAND GMBH (DE) 2008-02-28 US disclosed
US-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components 3M DEUTSCHLAND GMBH (DE) 2008-02-28 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-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components DDX3X, TAS2R39, TAS1R1 PTGDR 134/4885PTGDR2 269/4885POLB 1513/4885
US-20080319102-A1 Dental Composition Containing Epoxy Functional Polymerizable Compounds EPX, TAS2R30, TAS2R31 PTGDR 32/4885PTGDR2 78/4885POLB 2171/4885

“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.