SCHEMBL100397

SCHEMBL100397

C[N+](C)(C)COP(=O)(O)OCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MVD P53602 2/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 1/20 0.33
CTH P32929 1/20 0.30
CBS P35520 1/20 0.30
THPO P40225 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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 0.85 BBOX1 (0.37) MAPTTSHR
SCHEMBL11966759 0.84 TSHR (0.31) MVDMAPTTSHRLMNASMN1; SMN2
SCHEMBL8852887 0.82 MVD (0.42) MVDTSHRLMNACTHCBS
SCHEMBL3135948 0.81 FABP3 (0.42) MVDMAPTTSHRLMNASMN1; SMN2
SCHEMBL100398 0.77 TSHR (0.40) TSHRTDP1
SCHEMBL12936166 0.77 HPGD (0.39) TSHRLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9971733 0.75 TPI1 (0.34)
SCHEMBL19293677 0.75 BBOX1 (0.31)
SCHEMBL13758007 0.74 BBOX1 (0.33)
SCHEMBL26556402 0.74 BBOX1 (0.33)

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 8 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-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-20120034709-A1 SURFACE MODIFIED SUBSTRATE, BIOTIP AND A METHOD FOR PRODUCING THEREOF SHISEIDO COMPANY, LTD. (JP) 2012-02-09 US disclosed
US-20110040053-A1 POLYSILOXANE, ACRYLIC COMPOUND AND VINYLIC COMPOUND SHISEIDO COMPANY, LTD. (JP) 2011-02-17 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

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-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 MVD 1602/4885MAPT 4014/4885TSHR 3564/4885
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 MVD 1602/4885MAPT 4014/4885TSHR 3564/4885
US-20110040053-A1 POLYSILOXANE, ACRYLIC COMPOUND AND VINYLIC COMPOUND ASH2L, SMC2, MUS81 MVD 462/4885MAPT 3393/4885TSHR 3462/4885
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 MVD 1602/4885MAPT 4014/4885TSHR 3564/4885

“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.