SCHEMBL906889

SCHEMBL906889

C=CC(=O)NCC(CNC(=O)C=C)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TGM2 P21980 1/20 0.32

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
SCHEMBL13488755 0.82 ALDH1A1 (0.33) TSHRALDH1A1MAPK1TDP1
SCHEMBL13488775 0.82 ALDH1A1 (0.36) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28337636 0.82 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL13488763 0.75
SCHEMBL18755020 0.75 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL2319797 0.74 ZDHHC20 (0.36) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL632263 0.73 TGFBR1 (0.33) ALDH1A1
SCHEMBL28344102 0.73 TSHR (0.38) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5057223 0.72 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL15032912 0.72 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2277496-B1 Dental material containing surface-modified fillers IVOCLAR VIVADENT AG (LI) 2016-03-30 EP claimed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US claimed
EP-2277496-B1 Dental material containing surface-modified fillers IVOCLAR VIVADENT AG (LI) 2016-03-30 EP disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
EP-2080503-B1 Dental materials with surface functional fillers IVOCLAR VIVADENT AG (LI) 2011-09-14 EP disclosed
EP-2277496-A1 Dental material containing surface-modified fillers Ivoclar Vivadent AG (LI) 2011-01-26 EP disclosed
EP-2277496-A1 Dental material containing surface-modified fillers Ivoclar Vivadent AG (LI) 2011-01-26 EP disclosed
EP-1716836-B1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2011-01-19 EP disclosed
US-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS IVOCLAR VIVADENT AG (LI) 2009-07-23 US disclosed
EP-2080503-A1 Dental materials with surface functional fillers Ivoclar Vivadent AG (LI) 2009-07-22 EP disclosed
EP-1716836-A1 Surface-modified fillers Ivoclar Vivadent AG (LI) 2006-11-02 EP disclosed
US-20060247329-A1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2006-11-02 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-20090186960-A1 DENTAL MATERIALS WITH SURFACE-FUNCTIONALIZED FILLERS ITGAM, ITGA5, ITGA1 TSHR 2112/4885ALDH1A1 1596/4885MAPK1 4153/4885
US-20060247329-A1 Surface-modified fillers MSR1, HRH4, OR10J3 TSHR 1605/4885ALDH1A1 2926/4885MAPK1 4560/4885

“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.