SCHEMBL813616

SCHEMBL813616

C=C(C)C(=O)NC(C)(C)CCCP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.36
TYMS P04818 1/20 0.35
LPAR3 Q9UBY5 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BBOX1 O75936 1/20 0.32
S1PR2 O95136 4/20 0.32
S1PR4 O95977 4/20 0.32
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 4/20 0.32
S1PR5 Q9H228 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
SCHEMBL5059015 0.90 GRM4 (0.42) GRM4ALDH1A1
SCHEMBL1747420 0.83
SCHEMBL12161161 0.79 ALDH1A1 (0.44) ALDH1A1
SCHEMBL41615 0.79 TGFBR1 (0.32)
SCHEMBL150441 0.77 ALDH1A1 (0.43) LPAR3ALDH1A1
SCHEMBL2552708 0.77 MEN1 (0.46) GRM4TYMSLPAR3LPAR2ALDH1A1
SCHEMBL29062417 0.76 FNTA (0.34) GRM4TYMSLPAR3LPAR2S1PR2
SCHEMBL9320159 0.75 PAOX (0.34) ALDH1A1
SCHEMBL20497399 0.75 GRM4 (0.37) GRM4TYMSLPAR3LPAR2ALDH1A1
SCHEMBL6232119 0.74 ALDH1A1 (0.52) ALDH1A1

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 201 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108348402-B Polymerizable composition based on thermally cleavable compounds 义获嘉伟瓦登特公司 2021-02-02 CN claimed
EP-2578201-B1 Dental materials with improved hydrolysis stability on the basis of phthalic acid monomers IVOCLAR VIVADENT AG (LI) 2020-11-25 EP claimed
US-10667993-B2 Polymerizable compositions based on thermally cleavable compounds IVOCLAR VIVADENT AG (LI) 2020-06-02 US claimed
EP-3156031-B9 POLYMERISABLE COMPOSITIONS BASED ON THERMALLY CLEAVABLE COMPOUNDS IVOCLAR VIVADENT AG (LI) 2020-03-18 EP claimed
EP-3156031-B1 POLYMERISABLE COMPOSITIONS BASED ON THERMALLY CLEAVABLE COMPOUNDS IVOCLAR VIVADENT AG (LI) 2019-08-28 EP claimed
EP-2753291-B1 DENTAL MATERIALS BASED ON COMPOUNDS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2019-06-19 EP claimed
EP-2753290-B1 DENTAL MATERIALS ON THE BASIS OF MONOMERS WITH DEBONDING ON DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2019-06-12 EP claimed
EP-2755624-B1 DENTAL MATERIAL BASED ON STRONGLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS IVOCLAR VIVADENT AG (LI) 2018-11-14 EP claimed
US-20180200155-A1 Polymerizable Compositions Based On Thermally Cleavable Compounds IVOCLAR VIVADENT AG (LI) 2018-07-19 US claimed
US-9668946-B2 Dental materials based on monomers having debonding-on-demand properties IVOCLAR VIVADENT AG (LI) 2017-06-06 US claimed
WO-2013083734-A1 DENTAL MATERIALS ON THE BASIS OF HIGHLY ACIDIC POLYMERISABLE BISPHOSPHONIC ACIDS IVOCLAR VIVADENT AG (LI) 2013-06-13 WO claimed
US-20130123147-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2013-05-16 US claimed
US-20130090404-A1 Dental materials with improved hydrolysis stability based on phthalic acid monomers IVOCLAR VIVADENT AG (LI) 2013-04-11 US claimed
EP-2578201-A1 Dental materials with improved hydrolysis stability on the basis of phthalic acid monomers Ivoclar Vivadent AG (LI) 2013-04-10 EP claimed
WO-2013034777-A2 DENTAL MATERIALS BASED ON MONOMERS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2013-03-14 WO claimed
WO-2013034778-A2 DENTAL MATERIALS BASED ON COMPOUNDS HAVING DEBONDING-ON-DEMAND PROPERTIES IVOCLAR VIVADENT AG (LI) 2013-03-14 WO claimed
WO-2011130370-A1 POLYMERS HAVING ACID AND AMIDE MOIETIES, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-10-20 WO claimed
US-7714034-B2 Photopolymerizable dental materials with bisacylphosphine oxides as initiators IVOCLAR VIVADENT AG (LI) 2010-05-11 US claimed
EP-1749513-B1 Photopolymerisable dental material with bisacylphosphine oxides as initiator IVOCLAR VIVADENT AG (LI) 2009-03-04 EP claimed
US-20070027229-A1 Photopolymerizable dental materials with bisacylphosphine oxides as initiators IVOCLAR VIVADENT AG (LI) 2007-02-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20180200155-A1 Polymerizable Compositions Based On Thermally Cleavable Compounds CAD, TERB1, MLX GRM4 2193/4885TYMS 310/4885LPAR3 4648/4885
US-10667993-B2 Polymerizable compositions based on thermally cleavable compounds CAD, TERB1, MLX GRM4 2193/4885TYMS 310/4885LPAR3 4648/4885
US-20130090404-A1 Dental materials with improved hydrolysis stability based on phthalic acid monomers RCOR1, SMC4, RER1 GRM4 291/4885TYMS 4262/4885LPAR3 2130/4885
US-20070027229-A1 Photopolymerizable dental materials with bisacylphosphine oxides as initiators PRXL2A, PGM2, PAM GRM4 791/4885TYMS 2698/4885LPAR3 279/4885

“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.