SCHEMBL4432897

SCHEMBL4432897

C=CCOc1c(Cl)cc(Cl)cc1CC=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CXCR5 P32302 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL11541914 0.87 HSD17B10 (0.46) HSD17B10CXCR5ALDH1A1MAPTL3MBTL1
SCHEMBL12670376 0.86 PTGDR (0.41) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL4427150 0.86 PTGDR (0.41) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL12670381 0.84 CYP1A2 (0.50) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL12670365 0.83 PTGDR (0.39) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL12670380 0.83 MAPT (0.44) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL12670371 0.81 PTGDR (0.41) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL12670369 0.81 POLB (0.41) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL12670374 0.81 MAPT (0.52) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1
SCHEMBL12670383 0.81 POLB (0.41) PTGDRPTGDR2ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (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-20080051488-A1 Dental Composition Containing Unsaturated Halogenated Aryl Alkyl Ether Components DDX3X, TAS2R39, TAS1R1 HSD17B10 2563/4885PTGDR 134/4885PTGDR2 269/4885

“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.