SCHEMBL3341956

SCHEMBL3341956

CCCCNCCP(=O)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.52
S1PR2 O95136 7/20 0.48
S1PR1 P21453 7/20 0.48
S1PR3 Q99500 7/20 0.48
S1PR4 O95977 6/20 0.48
S1PR5 Q9H228 1/20 0.48
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.41
SAT1 P21673 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 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
Hydrochloric Acid SCHEMBL5595849 0.91 S1PR2 (0.58) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL491800 0.89 PPARD (0.62) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL371405 0.85 PPARD (0.48) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL9203519 0.84 PPARD (0.52) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL30604707 0.83 PPARD (0.57) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL14768680 0.82 PPARD (0.46) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL15532056 0.82 PPARD (0.65) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL6726806 0.80 PPARD (0.52) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL16638748 0.79 PPARD (0.43) PPARDS1PR2S1PR1S1PR3S1PR4
SCHEMBL17268786 0.79 PPARD (0.43) PPARDS1PR2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370863-B2 Oral care compositions comprising phosphono-phosphate and anionic group containing polymers THE PROCTER & GAMBLE COMPANY (US) 2022-06-28 US disclosed
US-11198763-B2 Oral care compositions comprising phosphono-phosphate and anionic group containing polymers THE PROCTER & GAMBLE COMPANY (US) 2021-12-14 US disclosed
US-11046798-B2 Phosphono-phosphate containing compounds and polymers THE PROCTER & GAMBLE COMPANY (US) 2021-06-29 US disclosed
US-11046817-B2 Compositions comprising multi-valent cations and phosphono-phosphate containing polymers THE PROCTER & GAMBLE COMPANY (US) 2021-06-29 US disclosed
US-11008411-B2 Phosphono-phosphate and anionic group containing polymers THE PROCTER & GAMBLE COMPANY (US) 2021-05-18 US disclosed
US-20210047475-A1 ORAL CARE COMPOSITIONS COMPRISING PHOSPHONO-PHOSPHATE AND ANIONIC GROUP CONTAINING POLYMERS PROCTER & GAMBLE (US) 2021-02-18 US disclosed
WO-2019118416-A1 PHOSPHONO-PHOSPHATE CONTAINING COMPOUNDS AND POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2019-06-20 WO disclosed
WO-2019118419-A1 COMPOSITIONS COMPRISING MULTI-VALENT CATIONS AND PHOSPHONO-PHOSPHATE CONTAINING POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2019-06-20 WO disclosed
WO-2019118415-A1 ORAL CARE COMPOSITIONS COMPRISING PHOSPHONO-PHOSPHATE AND ANIONIC GROUP CONTAINING POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2019-06-20 WO disclosed
US-20190177451-A1 Phosphono-Phosphate And Anionic Group Containing Polymers THE PROCTER & GAMBLE COMPANY 2019-06-13 US disclosed
US-20190177456-A1 Phosphono-Phosphate Containing Compounds And Polymers THE PROCTER & GAMBLE COMPANY 2019-06-13 US disclosed
US-20190177490-A1 ORAL CARE COMPOSITIONS COMPRISING PHOSPHONO-PHOSPHATE AND ANIONIC GROUP CONTAINING POLYMERS THE PROCTER & GAMBLE COMPANY 2019-06-13 US disclosed
US-20190177489-A1 Compositions Comprising Multi-valent Cations and Phosphono-phosphate Containing Polymers THE PROCTER & GAMBLE COMPANY 2019-06-13 US disclosed
EP-2593497-B1 SILICONE RESINS AND THEIR USE IN POLYMER COMPOSITIONS DOW SILICONES CORP (US) 2018-06-20 EP disclosed
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2010-06-24 US disclosed
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive KLEE JOACHIM 2008-08-14 US disclosed
EP-1437999-B1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2006-12-20 EP disclosed
US-20040266906-A1 Hydrolysis stable self-etching,self-priming adhesive KLEE JOACHIM (DE) 2004-12-30 US disclosed
EP-1437999-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GmbH (DE) 2004-07-21 EP disclosed
WO-2003035013-A1 HYDROLYSIS STABLE SELF-ETCHING, SELF-PRIMING ADHESIVE DENTSPLY DETREY GMBH (DE) 2003-05-01 WO 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 (10 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-20190177451-A1 Phosphono-Phosphate And Anionic Group Containing Polymers PHOSPHO1, PHPT1, ACP1 PPARD 4414/4885S1PR2 1262/4885S1PR1 1484/4885
US-20210047475-A1 ORAL CARE COMPOSITIONS COMPRISING PHOSPHONO-PHOSPHATE AND ANIONIC GROUP CONTAINING POLYMERS PHOSPHO1, PHPT1, INPP5D PPARD 4093/4885S1PR2 1210/4885S1PR1 1040/4885
US-11008411-B2 Phosphono-phosphate and anionic group containing polymers PHOSPHO1, PHPT1, ACP1 PPARD 4414/4885S1PR2 1262/4885S1PR1 1484/4885
US-20190177456-A1 Phosphono-Phosphate Containing Compounds And Polymers PHPT1, PHOSPHO1, PPIP5K2 PPARD 3857/4885S1PR2 1424/4885S1PR1 1462/4885
US-20080194730-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 PPARD 3115/4885S1PR2 2582/4885S1PR1 1834/4885
US-11198763-B2 Oral care compositions comprising phosphono-phosphate and anionic group containing polymers PHOSPHO1, PHPT1, INPP5D PPARD 4093/4885S1PR2 1210/4885S1PR1 1040/4885
US-11046798-B2 Phosphono-phosphate containing compounds and polymers PHPT1, PHOSPHO1, PPIP5K2 PPARD 3857/4885S1PR2 1424/4885S1PR1 1462/4885
US-11370863-B2 Oral care compositions comprising phosphono-phosphate and anionic group containing polymers PHOSPHO1, PHPT1, INPP5D PPARD 4093/4885S1PR2 1210/4885S1PR1 1040/4885
US-20100160485-A1 Hydrolysis stable self-etching, self-priming adhesive PPA1, PHOSPHO1, PDAP1 PPARD 3115/4885S1PR2 2582/4885S1PR1 1834/4885
US-11046817-B2 Compositions comprising multi-valent cations and phosphono-phosphate containing polymers PHOSPHO1, INPP5D, PTEN PPARD 4106/4885S1PR2 3504/4885S1PR1 3670/4885

“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.