SCHEMBL100728

SCHEMBL100728

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ADRA1A P35348 2/20 0.38
LMNA P02545 2/20 0.38
ESR1 P03372 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CDC25A P30304 1/20 0.38
AGTR1 P30556 1/20 0.38
AKT1 P31749 1/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM5 P08912 6/20 0.35
CHRM1 P11229 6/20 0.35
CHRM3 P20309 6/20 0.35
CHRM2 P08172 5/20 0.35
CHRM4 P08173 5/20 0.35
CHRNB2 P17787 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNA7 P36544 3/20 0.35
BBOX1 O75936 2/20 0.35
HTR1A P08908 2/20 0.35

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
SCHEMBL25857265 0.86 SMN1; SMN2 (0.46) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL65991 0.84 FABP3 (0.39) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL13619233 0.84 FABP3 (0.39) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL260180 0.82 FABP3 (0.43) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL10029194 0.81 BTN3A1 (0.36) BLMTSHRBTN3A1
SCHEMBL8598240 0.81 FABP3 (0.37) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL13745842 0.80 FABP3 (0.43) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL27333212 0.80 FABP3 (0.39) FABP3SMN1; SMN2ADRA1ALMNAESR1
SCHEMBL18341416 0.79 BTN3A1 (0.41) TSHRBTN3A1
SCHEMBL13619237 0.79 LMNA (0.58) FABP3SMN1; SMN2ADRA1ALMNAESR1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020100090-A1 CONTACT LENS WITH PHOSPHORYLCHOLINE-MODIFIED POLYVINYLALCOHOLS THEREIN ALCON INC. (CH) 2020-05-22 WO disclosed
EP-1577360-B1 METHOD OF MODIFYING SURFACE OF MATERIAL SHISEIDO CO LTD (JP) 2017-09-06 EP disclosed
US-20160367910-A1 PACKING MATERIAL FOR HYDROPHILIC INTERACTION CHROMATOGRAPHY SHISEIDO COMPANY, LTD. (JP) 2016-12-22 US disclosed
US-8551332-B2 Affinity particle and affinity separation method SHISEIDO COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8426627-B2 Phosphorylcholine group-containing compound and surface modifying agent composed of such compound SHISEIDO COMPANY, LTD. (JP) 2013-04-23 US disclosed
US-8277834-B2 Method for producing protein adsorption-preventing ocular lens material SHISEIDO COMPANY, LTD. (JP) 2012-10-02 US disclosed
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-20120205316-A1 Packing Material For Hydrophilic Interaction Chromatography SHISEIDO COMPANY, LTD. (JP) 2012-08-16 US disclosed
US-8236873-B2 Method of manufacturing protein adsorption preventing eye lens material SHISEIDO CO., LTD. (JP) 2012-08-07 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-20090321357-A1 Affinity Particle And Affinity Separation Method SHISEIDO COMPANY, LTD. (JP) 2009-12-31 US disclosed
US-20090156741-A1 Protein Adsorption Prevention Eye Lens Material And Method For Producing Same Ishihara, Kazuhiko (JP) 2009-06-18 US disclosed
US-20080300375-A1 Ocular Lens Material and Method for Producing Same ISHIHARA, KAZUHIKO (10% OWNERSHIP) (JP) 2008-12-04 US disclosed
US-20080300375-A1 Ocular Lens Material and Method for Producing Same ISHIHARA, KAZUHIKO (10% OWNERSHIP) (JP) 2008-12-04 US disclosed
US-20080214855-A1 Phosphorylcholine Group Containing Compound and Surface Modifying Agent Composed of Such Compound SHISEIDO CO., LTD. (JP) 2008-09-04 US disclosed
US-20080038221-A1 Method For Producing Protein Adsorption-Preventing Ocular Lens Material SHISEIDO COMPANY, LTD. (JP) 2008-02-14 US disclosed
EP-1818335-A1 PHOSPHORYLCHOLINE GROUP-CONTAINING COMPOUND AND METHOD FOR PRODUCING SAME Shiseido Company, Limited (JP) 2007-08-15 EP disclosed
US-20070181503-A1 Affinity particle and affinity separation method SHISEIDO COMPANY, LTD. (JP) 2007-08-09 US disclosed
EP-1750158-A1 OCULAR LENS MATERIAL AND METHOD FOR PRODUCING SAME Shiseido Company, Limited (JP) 2007-02-07 EP disclosed
EP-1750160-A1 METHOD FOR PRODUCING PROTEIN ADSORPTION-PREVENTING OCULAR LENS MATERIAL Shiseido Company, Limited (JP) 2007-02-07 EP 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 (3 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-20080214855-A1 Phosphorylcholine Group Containing Compound and Surface Modifying Agent Composed of Such Compound PHOSPHO1, SGMS1, CHRM1 FABP3 4196/4885SMN1; SMN2 3299/4885ADRA1A 1032/4885
US-20090321357-A1 Affinity Particle And Affinity Separation Method FCGR1A, ACP1, FCGR3B FABP3 312/4885SMN1; SMN2 4013/4885ADRA1A 964/4885
US-20080038221-A1 Method For Producing Protein Adsorption-Preventing Ocular Lens Material PCTP, CRYAA, PHOSPHO1 FABP3 593/4885SMN1; SMN2 4789/4885ADRA1A 4335/4885

“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.