SCHEMBL907411

SCHEMBL907411

C=C(C)C(=O)NCCOP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 7/20 0.42
LPAR1 Q92633 5/20 0.42
ENPP2 Q13822 1/20 0.42
LPAR3 Q9UBY5 8/20 0.37
BTN3A1 O00481 1/20 0.37
TPI1 P60174 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 1/20 0.33

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
Trimethylammonium SCHEMBL23803149 0.95 LPAR2 (0.40) LPAR2LPAR1ENPP2LPAR3BTN3A1
SCHEMBL8847181 0.89 LPAR3 (0.43) LPAR2LPAR1ENPP2LPAR3CA12
Trimethylammonium SCHEMBL28961044 0.87 MEN1 (0.37) LPAR2LPAR1ENPP2LPAR3BTN3A1
SCHEMBL28707552 0.86 LPAR3 (0.49) LPAR2LPAR1ENPP2LPAR3CA12
SCHEMBL3371494 0.86 LPAR3 (0.49) LPAR2LPAR1ENPP2LPAR3CA12
SCHEMBL812188 0.86 LPAR3 (0.49) LPAR2LPAR1ENPP2LPAR3CA12
Trimethylammonium SCHEMBL28395649 0.85 LPAR3 (0.40) LPAR2LPAR1ENPP2LPAR3CA12
SCHEMBL16384827 0.84 LPAR3 (0.39) LPAR2LPAR1ENPP2LPAR3BTN3A1
SCHEMBL14678816 0.81 TPI1 (0.36) LPAR2LPAR1LPAR3BTN3A1TPI1
SCHEMBL29206160 0.81 ALDH1A1 (0.32) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772245-B High-robustness self-compacting concrete special-purpose phosphate water reducer and preparation method thereof 深中通道管理中心 2025-05-06 CN claimed
CN-115772245-A High-robustness phosphate water reducing agent special for self-compacting concrete and preparation method thereof 深中通道管理中心 2023-03-10 CN claimed
US-8158561-B2 Scale and corrosion inhibitors for high temperature and pressure conditions ROHM AND HAAS COMPANY (US) 2012-04-17 US claimed
EP-2298704-A1 Scale and corrosion inhibitors for high temperature and pressure conditions Rohm and Haas Company (US) 2011-03-23 EP claimed
US-20110046023-A1 Scale and corrosion inhibitors for high temperature and pressure conditions ROHM AND HAAS COMPANY 2011-02-24 US claimed
CN-115772245-B High-robustness self-compacting concrete special-purpose phosphate water reducer and preparation method thereof 深中通道管理中心 2025-05-06 CN disclosed
CN-118139938-A Chemical mechanical polishing composition with improved particles 昂士特科技(深圳)有限公司 2024-06-04 CN disclosed
EP-3848418-B1 DENTAL CURABLE COMPOSITION AND METHOD FOR PRODUCING DENTAL CURABLE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2024-05-22 EP disclosed
CN-116254059-B Chemical mechanical polishing composition for edge polishing 昂士特科技(深圳)有限公司 2024-01-23 CN disclosed
CN-115926629-B Chemical mechanical polishing composition with improved recycling properties 昂士特科技(深圳)有限公司 2023-12-05 CN disclosed
US-11718781-B2 Method to produce a scale inhibitor TOUGAS OILFIELD SOLUTIONS GMBH (DE) 2023-08-08 US disclosed
CN-116254059-A Chemical mechanical polishing composition for edge polishing 昂士特科技(深圳)有限公司 2023-06-13 CN disclosed
US-20080266691-A1 Optical filter, and liquid-crystal display device comprising it FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed
US-20080266691-A1 Optical filter, and liquid-crystal display device comprising it FUJIFILM CORPORATION (JP) 2008-10-30 US 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
EP-1374829-B1 Dental material on the basis of acryloester phosphonic acid IVOCLAR VIVADENT AG (LI) 2005-11-02 EP disclosed
US-6900251-B2 Dental materials based on acrylic-ester phosphonic acids IVOCLAR VIVADENT AG (LI) 2005-05-31 US disclosed
US-20040077754-A1 Dental materials based on acrylic-ester phosphonic acids IVOCLAR VIVADENT AG (LI) 2004-04-22 US disclosed
EP-1374829-A1 Dental material on the basis of acryloester phosphonic acid Ivoclar Vivadent AG (LI) 2004-01-02 EP 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-20040077754-A1 Dental materials based on acrylic-ester phosphonic acids PHOSPHO1, RER1, PTGER1 LPAR2 1441/4885LPAR1 639/4885ENPP2 911/4885
US-20060247329-A1 Surface-modified fillers MSR1, HRH4, OR10J3 LPAR2 2413/4885LPAR1 1641/4885ENPP2 2183/4885

“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.