SCHEMBL812188

SCHEMBL812188

C=C(C)C(=O)NCCCCCCOP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.49
LPAR2 Q9HBW0 7/20 0.49
LPAR1 Q92633 5/20 0.49
S1PR2 O95136 3/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR5 Q9H228 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ENPP2 Q13822 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL3371494 1.00 LPAR3 (0.49) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL28707552 1.00 LPAR3 (0.49) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL8847181 0.93 LPAR3 (0.43) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL15785207 0.89 SAT1 (0.44) LPAR3LPAR2LPAR1S1PR2S1PR1
Trimethylammonium SCHEMBL28395649 0.89 LPAR3 (0.40) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL16384827 0.88 LPAR3 (0.39) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL907411 0.86 LPAR2 (0.42) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL20385669 0.86 PLA2G2A (0.38) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL26757862 0.85 CA12 (0.37) LPAR3LPAR2LPAR1S1PR2S1PR1
SCHEMBL12643043 0.83 TSHR (0.47) KDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111040198-B DNA hydrogel, preparation method and application thereof 苏州珀罗汀生物技术有限公司 2021-08-17 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
US-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids IVOCLAR VIVADENT AG (LI) 2014-10-02 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
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US 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
EP-1749513-A1 Photopolymerisable dental material with bisacylphosphine oxides as inhibitors Ivoclar Vivadent AG (LI) 2007-02-07 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 (5 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-20140296364-A1 Dental Materials on the Basis of Highly Acidic Polymerizable Bisphosphonic Acids PHOSPHO1, PTK2, ITGA1 LPAR3 1675/4885LPAR2 1838/4885LPAR1 1298/4885
US-20180200155-A1 Polymerizable Compositions Based On Thermally Cleavable Compounds CAD, TERB1, MLX LPAR3 4648/4885LPAR2 4829/4885LPAR1 4762/4885
US-10667993-B2 Polymerizable compositions based on thermally cleavable compounds CAD, TERB1, MLX LPAR3 4648/4885LPAR2 4829/4885LPAR1 4762/4885
US-20130090404-A1 Dental materials with improved hydrolysis stability based on phthalic acid monomers RCOR1, SMC4, RER1 LPAR3 2130/4885LPAR2 3234/4885LPAR1 2809/4885
US-20070027229-A1 Photopolymerizable dental materials with bisacylphosphine oxides as initiators PRXL2A, PGM2, PAM LPAR3 279/4885LPAR2 822/4885LPAR1 423/4885

“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.