SCHEMBL138723

SCHEMBL138723

CC(Br)C(=O)OCC(COC(=O)C(C)Br)(COC(=O)C(C)Br)COC(=O)C(C)Br

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
MAPK1 P28482 2/20 0.34
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL20446047 0.93 MAPK1 (0.31) HTTMAPK1HIF1A
SCHEMBL719638 0.89 THRB (0.38) HTTMAPK1HIF1A
SCHEMBL140455 0.89 ALDH1A1 (0.41) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL14301460 0.86
SCHEMBL5597509 0.85
SCHEMBL11658473 0.81 CHRM2 (0.33) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13346809 0.79 ALDH1A1 (0.41) HTTMAPK1HIF1AALDH1A1TP53
SCHEMBL13917721 0.78 SERPINE1 (0.31) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13857062 0.76 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21811604 0.76 ZDHHC7 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883941-B2 Methods and apparatus for controlled single electron transfer living radical polymerization HENKEL CORPORATION (US) 2014-11-11 US claimed
US-20140275448-A1 METHODS AND APPARATUS FOR CONTROLLED SINGLE ELECTRON TRANSFER LIVING RADICAL POLYMERIZATION HENKEL CORPORATION (US) 2014-09-18 US claimed
US-20120053296-A1 CURABLE COMPOSITIONS WITH MOISTURE-CURABLE FUNCTIONALITY CLUSTERS NEAR THE CHAIN ENDS HENKEL CORPORATION (US) 2012-03-01 US claimed
JP-2011524942-A 2011-09-08 JP claimed
EP-2291412-A2 APPARATUS AND METHODS FOR CONTROLLED RADICAL POLYMERIZATION Henkel Corporation (US) 2011-03-09 EP claimed
US-11814533-B2 Curable polymeric coatings for functional surface preparations CORNELL UNIVERSITY (US) 2023-11-14 US disclosed
US-11008414-B2 Polymer materials for contact lens applications CIS PHARMA AG (CH) 2021-05-18 US disclosed
US-20200283560-A1 New polymer materials for contact lens applications CIS PHARMA AG (CH) 2020-09-10 US disclosed
US-20200216708-A1 CURABLE POLYMERIC COATINGS FOR FUNCTIONAL SURFACE PREPARATIONS CORNELL UNIVERSITY 2020-07-09 US disclosed
EP-2596062-B1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS ROHM & HAAS (US) 2019-09-18 EP disclosed
EP-3356433-B1 NEW POLYMER MATERIALS FOR CONTACT LENS APPLICATIONS CIS PHARMA AG (CH) 2019-09-18 EP disclosed
US-10273314-B2 Set-LRP polymerization of acrylates in the presence of acids ROHM AND HAAS COMPANY (US) 2019-04-30 US disclosed
US-20100240858-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2010-09-23 US disclosed
WO-2010065809-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-10 WO disclosed
EP-2147042-A1 DENDRITIC MOLECULES The University Of Queensland (AU) 2010-01-27 EP disclosed
EP-2013240-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2009-01-14 EP disclosed
WO-2008141357-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2008-11-27 WO disclosed
WO-2007115939-A1 PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS PIOTREK CO., LTD. (JP) 2007-10-18 WO disclosed
US-7157537-B2 α-Halogenated acid esters with polyvalent alcohols as atom transfer radical polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-02 US disclosed
US-7157537-B2 α-Halogenated acid esters with polyvalent alcohols as atom transfer radical polymerization initiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-01-02 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-20200283560-A1 New polymer materials for contact lens applications CRYAA, CRYAB, BCAT1 HTT 998/4885MAPK1 567/4885HIF1A 947/4885
US-11008414-B2 Polymer materials for contact lens applications CRYAA, BCAT1, CRYAB HTT 585/4885MAPK1 848/4885HIF1A 719/4885

“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.