SCHEMBL9971733

SCHEMBL9971733

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

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TPI1 P60174 1/20 0.34

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
SCHEMBL12936166 0.85 HPGD (0.39) TPI1
SCHEMBL11966757 0.80 SMN1; SMN2 (0.39) TPI1
SCHEMBL9971737 0.79 TPI1 (0.31) TPI1
SCHEMBL11966756 0.77
SCHEMBL26556407 0.76 BBOX1 (0.37)
SCHEMBL100397 0.75 MVD (0.38)
SCHEMBL11966759 0.75 TSHR (0.31)
SCHEMBL10029196 0.75
SCHEMBL11966760 0.70
SCHEMBL100398 0.69 TSHR (0.40)

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-9347031-B2 Container for forming a cell aggregate and a method for forming a cell aggregate SHISEIDO COMPANY, LTD. (JP) 2016-05-24 US disclosed
US-20130266954-A1 METHOD FOR FORMING A CELL AGGREGATE SHISEIDO COMPANY, LTD. (JP) 2013-10-10 US disclosed
US-8242222-B2 Polysiloxane, acrylic compound and vinylic compound SHISEIDO COMPANY, LTD. (JP) 2012-08-14 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-20120156696-A1 container for forming a cell aggregate and a method for forming a cell aggregate SHISEIDO COMPANY, LTD. (JP) 2012-06-21 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 (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-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 TPI1 2799/4885
US-20110040053-A1 POLYSILOXANE, ACRYLIC COMPOUND AND VINYLIC COMPOUND ASH2L, SMC2, MUS81 TPI1 3325/4885

“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.