SCHEMBL9965254

SCHEMBL9965254

CC(C)C(=O)NCCc1ccc(O)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.71
ERCC4 Q92889 2/20 0.71
MAPT P10636 5/20 0.69
HSD17B10 Q99714 4/20 0.69
HIF1A Q16665 3/20 0.69
ALDH1A1 P00352 3/20 0.69
KDM4E B2RXH2 3/20 0.69
LMNA P02545 3/20 0.69
HPGD P15428 2/20 0.69
BLM P54132 2/20 0.69
PTGS1 P23219 1/20 0.69
GLI1 P08151 1/20 0.58
GLI2 P10070 1/20 0.58
CYP1A2 P05177 2/20 0.57
TSHR P16473 2/20 0.57
NFKB1 P19838 2/20 0.57
MAPK1 P28482 2/20 0.57
THPO P40225 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL4949922 0.89 MAPT (0.67) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL5053837 0.89 MAPT (0.67) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL7364941 0.88 MAPT (0.65) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL27269169 0.88 MAPT (0.65) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL28976208 0.88 MAPT (0.65) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL31475411 0.88 MAPT (0.65) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL30281537 0.88 MAPT (0.65) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL1123655 0.88 MAPT (0.65) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL27272665 0.86 MAPT (0.63) ERCC1ERCC4MAPTHSD17B10HIF1A
SCHEMBL17898047 0.85 MAPT (0.61) ERCC1ERCC4MAPTHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024072899-A2 DISINFECTANT COMPOSITIONS AND METHODS THEREOF HALOMINE INC. (US) 2024-04-04 WO disclosed
US-20180169275-A1 POLYMERIC MICELLAR NANOPARTICLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-06-21 US disclosed
US-20160346424-A1 ADHESIVE COMPOUNDS AND METHODS USE FOR HERNIA REPAIR KNC NER ACQUISITION SUB, INC. 2016-12-01 US disclosed
US-8916652-B2 Multi-armed catechol compound blends KENSEY NASH CORPORATION (US) 2014-12-23 US disclosed
US-8846839-B2 Copolymers having zwitterionic moieties and dihdroxyphenyl moieties and medical devices coated with the copolymers ABBOTT LABORATORIES (US) 2014-09-30 US disclosed
US-8399584-B2 Copolymers having zwitterionic moieties and dihydroxyphenyl moieties and medical devices coated with the copolymers ABBOTT LABORATORIES (US) 2013-03-19 US disclosed
US-20120157602-A1 COPOLYMERS HAVING ZWITTERIONIC MOIETIES AND DIHDROXYPHENYL MOIETIES AND MEDICAL DEVICES COATED WITH THE COPOLYMERS ABBOTT LABORATORIES (US) 2012-06-21 US disclosed
US-8202956-B2 Copolymers having zwitterionic moieties and dihydroxyphenyl moieties and medical devices coated with the copolymers ABBOTT LABORATORIES (US) 2012-06-19 US disclosed
US-8119742-B2 Multi-armed catechol compound blends KNC NER ACQUISITION SUB, INC. (US) 2012-02-21 US disclosed
US-8101156-B2 Methods of manufacturing copolymers with zwitterionic moieties and dihydroxyphenyl moieties and use of same ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-20110166250-A1 COPOLYMERS HAVING ZWITTERIONIC MOIETIES AND DIHYDROXYPHENYL MOIETIES AND MEDICAL DEVICES COATED WITH THE COPOLYMERS ABBOTT LABORATORIES (US) 2011-07-07 US disclosed
US-20110160382-A1 COPOLYMERS HAVING ZWITTERIONIC MOIETIES AND DIHDROXYPHENYL MOIETIES AND MEDICAL DEVICES COATED WITH THE COPOLYMERS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7928176-B2 Copolymers having zwitterionic moieties and dihydroxyphenyl moieties and medical devices coated with the copolymers ABBOTT LABORATORIES (US) 2011-04-19 US disclosed
US-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-05-06 US disclosed
US-20080153923-A1 Biocompatible polymer; copolymerize a dihydroxyphenyl monomer with acrylate comonomer to yield intermediate polymer; coupling zwitterionic phosphorylcholine to the acrylate comonomer of intermediate product to yield a thermoplastic polymer; improved adhesion to surface of implantable medical device ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-20080139746-A1 Polymer preferably includes methacryloyloxyethyl phosphorylcholine, and a cationic monomer, a monomer with a pendant hydrocarbon group or a monomer with a pendant hydrophilic group; blends with polyvinylpyrrolidone, a polyacrylate or terpolymer; improved adhesion, primers not needed; stent coatings ABBOTT LABORATORIES (US) 2008-06-12 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 (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-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS COMT, HAAO, PNMT ERCC1 1920/4885ERCC4 1693/4885MAPT 909/4885
US-20180169275-A1 POLYMERIC MICELLAR NANOPARTICLES PHOSPHO1, LIPA, PITPNB ERCC1 2880/4885ERCC4 3650/4885MAPT 106/4885
US-20080153923-A1 Biocompatible polymer; copolymerize a dihydroxyphenyl monomer with acrylate comonomer to yield intermediate polymer; coupling zwitterionic phosphorylcholine to the acrylate comonomer of intermediate product to yield a thermoplastic polymer; improved adhesion to surface of implantable medical device CAD, PHOSPHO1, CD14 ERCC1 2017/4885ERCC4 3042/4885MAPT 1613/4885

“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.