SCHEMBL138724

SCHEMBL138724

CC(Br)C(=O)O.CC(Br)C(=O)O.CC(Br)C(=O)O.CC(Br)C(=O)O.OCC(CO)(CO)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
TP53 P04637 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 3/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 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
SCHEMBL719639 0.88 LCK (0.38) ALDH1A1THRBRECQLGABRR1CYP1A2
SCHEMBL11363406 0.83 GABRR1 (0.40) ALDH1A1GABRR1CYP1A2TP53CHRM1
SCHEMBL28610519 0.83 GABRR1 (0.40) ALDH1A1GABRR1CYP1A2TP53CHRM1
SCHEMBL11365409 0.83 GABRR1 (0.40) ALDH1A1GABRR1CYP1A2TP53CHRM1
Lactic Acid SCHEMBL27702915 0.81 TP53 (0.61) GABRR1CYP1A2TP53CHRM1AKR1A1
Ethylene Glycol SCHEMBL721630 0.80 ALDH1A1 (0.44) ALDH1A1THRBRECQLGABRR1CYP1A2
Ethylene Glycol SCHEMBL719575 0.80 ALDH1A1 (0.44) ALDH1A1THRBRECQLGABRR1CYP1A2
SCHEMBL233694 0.80
SCHEMBL233072 0.80
SCHEMBL51944 0.80

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 21 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-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
US-10273314-B2 Set-LRP polymerization of acrylates in the presence of acids ROHM AND HAAS COMPANY (US) 2019-04-30 US disclosed
US-9243083-B2 Thiol-ene cured oil-resistant polyacrylate sealants for in-place gasketing applications Henkel IP & Holding GmbH (DE) 2016-01-26 US disclosed
US-8883941-B2 Methods and apparatus for controlled single electron transfer living radical polymerization HENKEL CORPORATION (US) 2014-11-11 US disclosed
US-20140275448-A1 METHODS AND APPARATUS FOR CONTROLLED SINGLE ELECTRON TRANSFER LIVING RADICAL POLYMERIZATION HENKEL CORPORATION (US) 2014-09-18 US disclosed
US-20140216649-A1 THIOL-ENE CURED OIL-RESISTANT POLYACRYLATE SEALANTS FOR IN-PLACE GASKETING APPLICATIONS LOCTITE (R&D) LIMITED 2014-08-07 US disclosed
US-20130245216-A1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-19 US disclosed
EP-2596062-A1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS Rohm and Haas Company (US) 2013-05-29 EP disclosed
US-20120226000-A1 POLYVINYL CHLORIDE CONTAINING MULTIARMED STAR COPOLYMERS Tekni-Plex ,Inc. (US) 2012-09-06 US disclosed
US-20120059173-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2012-03-08 US disclosed
WO-2012012705-A1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS ROHM AND HAAS COMPANY (US) 2012-01-26 WO 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
WO-2008141357-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2008-11-27 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 (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-20120059173-A1 DENDRITIC MOLECULES CD40LG, CD40, TLR3 ALDH1A1 3696/4885THRB 4052/4885RECQL 4264/4885
US-20200283560-A1 New polymer materials for contact lens applications CRYAA, CRYAB, BCAT1 ALDH1A1 4406/4885THRB 2348/4885RECQL 2269/4885
US-11008414-B2 Polymer materials for contact lens applications CRYAA, BCAT1, CRYAB ALDH1A1 4262/4885THRB 2290/4885RECQL 2016/4885

“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.