SCHEMBL9354591

SCHEMBL9354591

CC(CO)COCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 2/20 0.34
AGTR1 P30556 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL13135366 0.92 USP2 (0.48) USP2LMNAALDH1A1KDM4ETDP1
Isobutane SCHEMBL27997158 0.87 USP2 (0.52) USP2LMNAALDH1A1KDM4ETDP1
Isopropyl Alcohol SCHEMBL7787253 0.87 USP2 (0.52) USP2LMNAALDH1A1KDM4ETDP1
SCHEMBL9394354 0.87 TSHR (0.43) USP2TDP1HSD17B10TSHR
Hydrogen Sulfide SCHEMBL28328118 0.87 LMNA (0.50) USP2LMNAALDH1A1KDM4ETSHR
SCHEMBL5198804 0.86 USP2 (0.48) USP2LMNAALDH1A1KDM4ETDP1
SCHEMBL18484718 0.85 USP2 (0.44) USP2LMNAALDH1A1KDM4EHSD17B10
Propylene Glycol SCHEMBL2236346 0.84 TDP1 (0.56) USP2LMNAALDH1A1KDM4ETDP1
SCHEMBL15358596 0.84 TSHR (0.41) TDP1HSD17B10TSHR
Ethane SCHEMBL2303498 0.84 USP2 (0.54) USP2LMNAALDH1A1KDM4ETDP1

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
EP-3337838-B1 POLYURETHANE FLEXIBLE FOAMS WITH INCREASED HARDNESS EVONIK OPERATIONS GMBH (DE) 2023-06-21 EP disclosed
EP-3331491-B1 POLYMERS DERIVED FROM AMINO-FUNCTIONAL VINYL ALCOHOL ETHERS AND APPLICATIONS THEREOF ISP INVESTMENTS LLC (US) 2022-03-23 EP disclosed
EP-3219738-B1 PRODUCTION OF VISCOELASTIC POLYURETHANE SYSTEMS USING BLOCK POLYMERS HAVING LINKED SILOXANE BLOCKS AS CELL-OPENING AGENTS EVONIK OPERATIONS GMBH (DE) 2020-04-29 EP disclosed
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 US disclosed
CN-108349225-A BIREFRINGENT BANKNOTE FILM 伊诺维亚薄膜有限公司 2018-07-31 CN disclosed
EP-3067343-B1 Antioxidants for the preparation of low-emission polyurethane systems EVONIK DEGUSSA GMBH (DE) 2018-07-25 EP disclosed
EP-3337838-A1 PRODUCTION OF POLYURETHANE SOFT FOAMS WITH IMPROVED HARDNESS Evonik Degussa GmbH (DE) 2018-06-27 EP disclosed
WO-2017198545-A1 (PER)FLUOROPOLYETHER DERIVATIVES SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2017-11-23 WO disclosed
EP-3219738-A1 PRODUCTION OF VISCOELASTIC POLYURETHANE SYSTEMS USING BLOCK POLYMERS HAVING LINKED SILOXANE BLOCKS AS CELL-OPENING AGENTS Evonik Degussa GmbH (DE) 2017-09-20 EP disclosed
WO-2017029054-A1 PRODUCTION OF POLYURETHANE SOFT FOAMS WITH IMPROVED HARDNESS EVONIK DEGUSSA GMBH (DE) 2017-02-23 WO disclosed
EP-3067343-A1 Antioxidants for the preparation of low-emission polyurethane systems Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
EP-3067376-A1 Production of polyurethane systems using polyether polycarbonate polyols Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
EP-2998333-A1 PRODUCTION OF VISCOELASTIC POLYURETHANE SYSTEMS USING BLOCK POLYMERS HAVING LINKED SILOXANE BLOCKS AS CELL-OPENING AGENTS Evonik Degussa GmbH (DE) 2016-03-23 EP disclosed
EP-2646491-B1 TRIAZINE DERIVATIVE SOLVAY SPECIALTY POLYMERS IT (IT) 2016-01-27 EP disclosed
EP-2197939-B1 PROCESS FOR THE MANUFACTURE OF POLYOL PERFLUOROPOLYETHER DERIVATIVE SOLVAY SPECIALTY POLYMERS IT (IT) 2012-07-11 EP disclosed
US-5374486-A Containing tertiary amine or ammonium components; polyurethane foams MILES INC. (US) 1994-12-20 US disclosed
EP-0617710-A1 ISOCYANATE-TRIMERIZATION CATALYST BAYER AG (DE) 1994-10-05 EP disclosed
WO-1993012153-A1 ISOCYANATE-TRIMERIZATION CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed
US-4518522-A DI-(ALKYL OR ALKOXYALKYL) MALONATES AND CONTAINING A STABILIZING MONOFUNCTIONAL REACTIVE COMPOUND MOBAY CHEMICAL CORPORATION (US) 1985-05-21 US disclosed
US-4235976-A Use of phosphonates as trimerization catalysts for the production of polyisocyanurate synthetic resins BAYER AKTIENGESELLSCHAFT (DE) 1980-11-25 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 (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-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 USP2 4690/4885LMNA 1408/4885ALDH1A1 1733/4885

“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.