SCHEMBL21049926

SCHEMBL21049926

CCOP(=O)(C=C(C)C(=O)O)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.39
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1I2 O75469 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
AOX1 Q06278 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL27858855 0.82 PPARD (0.36) PPARDTSHRTP53TDP1NR1I2
SCHEMBL1030662 0.82 PPARD (0.38) PPARDTSHRTP53TDP1CA12
SCHEMBL5030295 0.80 GLO1 (0.42) PPARDTSHRNPSR1ALDH1A1LMNA
SCHEMBL10497587 0.80 TSHR (0.37) PPARDTSHRTP53TDP1NR1I2
SCHEMBL11336903 0.78 TSHR (0.43) PPARDTSHRTP53TDP1NR1I2
SCHEMBL10497445 0.76 CETP (0.43)
SCHEMBL12593697 0.72 TSHR (0.39) PPARDTSHRTP53TDP1NR1I2
SCHEMBL28358348 0.72 TSHR (0.41) PPARDTSHRTP53TDP1NR1I2
SCHEMBL8734587 0.72 TSHR (0.41) PPARDTSHRTP53TDP1NR1I2
SCHEMBL11347993 0.71 TSHR (0.37) PPARDTSHRTP53TDP1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111432891-B Polymer containing phosphonyl-phosphate groups and anionic groups 宝洁公司 2024-01-02 CN 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
CN-111447974-A Oral care compositions comprising polymers containing phosphono-phosphate groups and anionic groups 宝洁公司 2020-07-24 CN disclosed
CN-111432891-A Polymers containing phosphono-phosphate groups and anionic groups 宝洁公司 2020-07-17 CN disclosed
CN-111372554-A Compositions comprising multivalent cations and phosphono-phosphate-containing polymers 宝洁公司 2020-07-03 CN disclosed
CN-111372657-A Phosphonyl-phosphate containing compounds and polymers 宝洁公司 2020-07-03 CN disclosed
US-20190177489-A1 Compositions Comprising Multi-valent Cations and Phosphono-phosphate Containing 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-20190177451-A1 Phosphono-Phosphate And Anionic Group Containing Polymers THE PROCTER & GAMBLE COMPANY 2019-06-13 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 (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-20190177451-A1 Phosphono-Phosphate And Anionic Group Containing Polymers PHOSPHO1, PHPT1, ACP1 PPARD 4414/4885TSHR 3710/4885TP53 2680/4885
US-20210047475-A1 ORAL CARE COMPOSITIONS COMPRISING PHOSPHONO-PHOSPHATE AND ANIONIC GROUP CONTAINING POLYMERS PHOSPHO1, PHPT1, INPP5D PPARD 4093/4885TSHR 4586/4885TP53 1350/4885
US-11008411-B2 Phosphono-phosphate and anionic group containing polymers PHOSPHO1, PHPT1, ACP1 PPARD 4414/4885TSHR 3710/4885TP53 2680/4885
US-11046817-B2 Compositions comprising multi-valent cations and phosphono-phosphate containing polymers PHOSPHO1, INPP5D, PTEN PPARD 4106/4885TSHR 4795/4885TP53 738/4885

“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.