SCHEMBL3422576

SCHEMBL3422576

CC(C)OCC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
FOLH1 Q04609 2/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
ENPEP Q07075 2/20 0.37
BLM P54132 1/20 0.37
TP53 P04637 1/20 0.36
ACE2 Q9BYF1 1/20 0.34
HPGD P15428 1/20 0.33
LTA4H P09960 1/20 0.33
HTT P42858 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
SCHEMBL27486947 0.81 ACE2 (0.47) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL6886394 0.78 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL27993529 0.78 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL6886391 0.78 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL6886393 0.78 GABRR1 (0.38) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL15910175 0.78 GABRR1 (0.46) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL8930066 0.78 GABRR1 (0.46) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL20703280 0.77 PGK1 (0.46) TP53HPGDHTT
SCHEMBL7400607 0.77 PGK1 (0.46) TP53HPGDHTT
SCHEMBL26315380 0.77 TSHR (0.31) GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1016698-B1 Use of a solvent composition containing an oxyisobutyric acid ester as a solvent in coatings, adhesives and printing inks MITSUBISHI RAYON CO (JP) 2004-09-22 EP claimed
EP-0629671-B1 Solvent composition MITSUBISHI RAYON CO (JP) 2002-03-27 EP claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
WO-2016205202-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. (US) 2016-12-22 WO disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2197924-A2 POLYMERS FOR USE IN PHOTORESIST COMPOSITIONS AZ Electronic Materials USA Corp. (US) 2010-06-23 EP disclosed
WO-2010064135-A2 A PHOTOSENSITIVE COMPOSITION AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-06-10 WO disclosed
EP-2122418-A2 STRIPPER FOR COATING LAYER AZ Electronic Materials USA Corp. (US) 2009-11-25 EP disclosed
EP-2121857-A1 SILICONE COATING COMPOSITION AZ Electronic Materials USA Corp. (US) 2009-11-25 EP disclosed
EP-2121783-A1 POLYMERS USEFUL IN PHOTORESIST COMPOSITIONS AND COMPOSITIONS THEREOF AZ Electronic Materials USA Corp. (US) 2009-11-25 EP disclosed
EP-2111567-A2 PHOTORESIST COMPOSITION AZ Electronic Materials USA Corp. (US) 2009-10-28 EP disclosed
WO-2008068617-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-06-12 WO disclosed
EP-1915360-A2 PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2008-04-30 EP disclosed
WO-2008041123-A1 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-04-10 WO disclosed
WO-2008010079-A1 ANTIREFLECTIVE COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2008-01-24 WO disclosed
WO-2007148221-A1 HIGH SILICON-CONTENT THIN FILM THERMOSETS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2007-12-27 WO disclosed
WO-2007007175-A2 PHOTOACTIVE COMPOUNDS AZ ELECTRONIC MATERIAL USA CORP. (DE) 2007-01-18 WO disclosed
WO-2006064368-A2 PROCESS FOR TREATING SOLVENTS AZ ELECTRONIC MATERIALS USA CORP. (DE) 2006-06-22 WO disclosed
EP-1467966-A2 WATER-SOLUBLE DITHIOESTERS AND METHOD FOR POLYMERIZATION THEREOF LG Chem, Ltd. (KR) 2004-10-20 EP disclosed
WO-2003062280-A2 WATER-SOLUBLE DITHIOESTERS AND METHOD FOR POLYMERIZATION THEREOF LG CHEM, LTD. (KR) 2003-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO GABRR1 3912/4885CYP1A2 462/4885FOLH1 420/4885

“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.