SCHEMBL100398

SCHEMBL100398

CCOP(=O)(O)OC[N+](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PPARD Q03181 2/20 0.40
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BBOX1 O75936 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LPAR1 Q92633 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL26556407 0.91 BBOX1 (0.37) TSHRPPARDBBOX1CA2LPAR1
Diethyl Hydrogen Phosphate SCHEMBL28306776 0.85 TSHR (0.53) TSHRPPARDTP53TDP1CA12
Diethyl Hydrogen Phosphate SCHEMBL11406073 0.85 TSHR (0.53) TSHRPPARDTP53TDP1CA12
Diethyl Hydrogen Phosphate SCHEMBL27267327 0.85 TSHR (0.53) TSHRPPARDTP53TDP1CA12
Diethyl Hydrogen Phosphate SCHEMBL93056 0.83
Diethyl Hydrogen Phosphate SCHEMBL27294237 0.83 TSHR (0.56) TSHRPPARDTP53TDP1CA12
SCHEMBL19293677 0.80 BBOX1 (0.31) BBOX1
Diethyl Hydrogen Phosphate SCHEMBL3133022 0.80 TSHR (0.53) TSHRPPARDTP53TDP1CA12
Diethyl Hydrogen Phosphate SCHEMBL906759 0.80 TSHR (0.53) TSHRPPARDTP53TDP1CA12
Diethyl Hydrogen Phosphate SCHEMBL4948463 0.80 TSHR (0.53) TSHRPPARDTP53TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269031-B2 Phosphorylcholine group-containing compound, method of manufacturing a phosphorylcholine group-containing compound, surface-modifying agent, and a method of modifying a surface using a surface-modifying agent SHISEIDO COMPANY, LTD. (JP) 2012-09-18 US disclosed
US-8222442-B2 Phosphorylcholine group-containing compound, method of manufacturing a phosphorylcholine group-containing compound, surface-modifying agent, and a method of modifying a surface using a surface-modifying agent SHISEIDO COMPANY, LTD. (JP) 2012-07-17 US disclosed
US-8222443-B2 Phosphorylcholine group-containing compound, method of manufacturing a phosphorylcholine group-containing compound, surface-modifying agent, and a method of modifying a surface using a surface-modifying agent SHISEIDO COMPANY, LTD. (JP) 2012-07-17 US disclosed
US-8187623-B2 Medical copolymers BOSTON SCIENTIFIC SCIMED, INC. (US) 2012-05-29 US disclosed
US-20120059183-A1 PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, METHOD OF MANUFACTURING A PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, SURFACE-MODIFYING AGENT, AND A METHOD OF MODIFYING A SURFACE USING A SURFACE-MODIFYING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-03-08 US disclosed
US-20120046489-A1 PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, METHOD OF MANUFACTURING A PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, SURFACE-MODIFYING AGENT, AND A METHOD OF MODIFYING A SURFACE USING A SURFACE-MODIFYING AGENT SHISEIDO COMPANY, LTD. 2012-02-23 US disclosed
US-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2011-09-08 US disclosed
US-20100113817-A1 PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, METHOD OF MANUFACTURING A PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, SURFACE-MODIFYING AGENT, AND A METHOD OF MODIFYING A SURFACE USING A SURFACE-MODIFYING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-05-06 US disclosed
US-20090324679-A1 MEDICAL COPOLYMERS BOSTON SCIENTIFIC SCIMED, INC. (US) 2009-12-31 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 (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-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF PHOSPHO1, SGMS1, SGMS2 TSHR 2737/4885PPARD 2793/4885TP53 403/4885
US-20120059183-A1 PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, METHOD OF MANUFACTURING A PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, SURFACE-MODIFYING AGENT, AND A METHOD OF MODIFYING A SURFACE USING A SURFACE-MODIFYING AGENT PHOSPHO1, SGMS1, SGMS2 TSHR 3564/4885PPARD 4274/4885TP53 4795/4885
US-20100113817-A1 PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, METHOD OF MANUFACTURING A PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, SURFACE-MODIFYING AGENT, AND A METHOD OF MODIFYING A SURFACE USING A SURFACE-MODIFYING AGENT PHOSPHO1, SGMS1, SGMS2 TSHR 3564/4885PPARD 4274/4885TP53 4795/4885
US-20090324679-A1 MEDICAL COPOLYMERS CCR9, CTR9, F9 TSHR 2934/4885PPARD 2412/4885TP53 986/4885
US-20120046489-A1 PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, METHOD OF MANUFACTURING A PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND, SURFACE-MODIFYING AGENT, AND A METHOD OF MODIFYING A SURFACE USING A SURFACE-MODIFYING AGENT PHOSPHO1, SGMS1, SGMS2 TSHR 3564/4885PPARD 4274/4885TP53 4795/4885

“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.