SCHEMBL4908328

SCHEMBL4908328

C=C(C)C(=O)OCCOC(=O)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
CHRNB2 P17787 6/20 0.52
CHRNA4 P43681 6/20 0.52
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM5 P08912 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL14999214 0.92 TSHR (0.56) THRBCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL14999290 0.89 CHRNB2 (0.55) THRBCHRNB2CHRNA4CHRM2CHRM4
Trimethylammonium SCHEMBL28556159 0.87 THRB (0.65) THRBCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL15636 0.84 THRB (0.74) THRBCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL6142874 0.84 THRB (0.74) THRBCHRNB2CHRNA4CHRM2CHRM4
Ethylene SCHEMBL9485953 0.82 THRB (0.71) THRBCHRNB2CHRNA4CHRM2CHRM4
Ethylene SCHEMBL2367613 0.82 THRB (0.71) THRBCHRNB2CHRNA4CHRM2CHRM4
Ethylene SCHEMBL9301341 0.82 THRB (0.71) THRBCHRNB2CHRNA4CHRM2CHRM4
SCHEMBL3286289 0.82 THRB (0.71) THRBCHRNB2CHRNA4CHRM2CHRM4
Ethylene SCHEMBL8506065 0.82 THRB (0.71) THRBCHRNB2CHRNA4CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212132-B2 (Meth)acrylic acid ester, activation energy ray curing composition, and inkjet recording ink RICOH COMPANY LTD. (JP) 2015-12-15 US disclosed
US-9212132-B2 (Meth)acrylic acid ester, activation energy ray curing composition, and inkjet recording ink RICOH COMPANY LTD. (JP) 2015-12-15 US disclosed
EP-2602244-A1 (Meth) Acrylic acid ester, activation energy ray curing composition, and inkjet recording ink Ricoh Company, Ltd. (JP) 2013-06-12 EP disclosed
US-20130144057-A1 (METH)ACRYLIC ACID ESTER, ACTIVATION ENERGY RAY CURING COMPOSITION, AND INKJET RECORDING INK RICOH COMPANY, LTD. (JP) 2013-06-06 US disclosed
US-20130144057-A1 (METH)ACRYLIC ACID ESTER, ACTIVATION ENERGY RAY CURING COMPOSITION, AND INKJET RECORDING INK RICOH COMPANY, LTD. (JP) 2013-06-06 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO 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 (1 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-20130144057-A1 (METH)ACRYLIC ACID ESTER, ACTIVATION ENERGY RAY CURING COMPOSITION, AND INKJET RECORDING INK MNAT1, MLLT1, METTL3 THRB 3526/4885CHRNB2 2724/4885CHRNA4 2666/4885

“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.