SCHEMBL57742

SCHEMBL57742

CC(=O)CCC(=O)C(O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 1/20 0.48
SLC15A2 Q16348 1/20 0.48
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.35
PAOX Q6QHF9 1/20 0.35
TRPA1 O75762 1/20 0.33
TET2 Q6N021 3/20 0.31
KDM4A O75164 2/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
TET3 O43151 1/20 0.31
CA1 P00915 1/20 0.31
CHRM1 P11229 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
SCHEMBL10001 0.77
SCHEMBL888729 0.77 ALDH1A1 (0.59) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL15657384 0.74 ALDH1A1 (0.56) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL6801343 0.73
SCHEMBL11615492 0.73
SCHEMBL6669487 0.73
SCHEMBL7002035 0.73
SCHEMBL14860085 0.73
SCHEMBL14860086 0.73
SCHEMBL9909687 0.73 LMNA (0.56) LMNASLC15A2TET2KDM4AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280754-B1 PRODUCTION OF LOW-EMISSION POLYURETHANES EVONIK OPERATIONS GMBH (DE) 2024-06-19 EP disclosed
CN-110372646-B Preparation method of furanone 安徽金轩科技有限公司 2022-05-31 CN disclosed
CN-110372646-A A kind of preparation method of furanone 安徽金轩科技有限公司 2019-10-25 CN disclosed
EP-3337838-A1 PRODUCTION OF POLYURETHANE SOFT FOAMS WITH IMPROVED HARDNESS Evonik Degussa GmbH (DE) 2018-06-27 EP disclosed
EP-3280754-A1 PRODUCTION OF LOW-EMISSION POLYURETHANES Evonik Degussa GmbH (DE) 2018-02-14 EP disclosed
EP-3177659-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES Evonik Degussa GmbH (DE) 2017-06-14 EP disclosed
EP-3177658-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES Evonik Degussa GmbH (DE) 2017-06-14 EP disclosed
EP-3177660-A1 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES Evonik Degussa GmbH (DE) 2017-06-14 EP disclosed
WO-2017060532-A1 PROCESSING METHOD FOR A SERVICE WATER SUPPLY UNIT BLUE SAFETY GMBH (DE) 2017-04-13 WO disclosed
WO-2017029054-A1 PRODUCTION OF POLYURETHANE SOFT FOAMS WITH IMPROVED HARDNESS EVONIK DEGUSSA GMBH (DE) 2017-02-23 WO disclosed
WO-2014170198-A1 PUR FOAM WITH ENLARGED CELL STRUCTURE EVONIK INDUSTRIES AG (DE) 2014-10-23 WO disclosed
WO-2014146888-A1 PRODUCTION OF POLYURETHANE FOAMS CONTAINING POLYOLS BASED ON POLYOLEFIN EVONIK INDUSTRIES AG (DE) 2014-09-25 WO disclosed
WO-2014009086-A1 PROCESS FOR PRODUCING LOW-EMISSION FLEXIBLE POLYURETHANE FOAMS EVONIK INDUSTRIES AG (DE) 2014-01-16 WO disclosed
EP-2601244-A1 SILICONE COPOLYMERS WITH PENDANT ALKYL RADICALS ATTACHED VIA ALLYL GLYCIDYL ETHER AND RELATED COMPOUNDS, AND USE THEREOF AS STABILIZERS FOR PRODUCTION OF FLEXIBLE POLYURETHANE FOAMS Evonik Goldschmidt GmbH (DE) 2013-06-12 EP disclosed
US-8129570-B2 Process for the preparation of 1,4-dialkyl-2,3-diol-1,4-butanedione FIRMENICH SA (CH) 2012-03-06 US disclosed
WO-2012016776-A1 SILICONE COPOLYMERS WITH PENDANT ALKYL RADICALS ATTACHED VIA ALLYL GLYCIDYL ETHER AND RELATED COMPOUNDS, AND USE THEREOF AS STABILIZERS FOR PRODUCTION OF FLEXIBLE POLYURETHANE FOAMS EVONIK GOLDSCHMIDT GMBH (DE) 2012-02-09 WO disclosed
US-20100137620-A1 PROCESS FOR THE PREPARATION OF 1,4-DIALKYL-2,3-DIOL-1,4-BUTANEDIONE FIRMENICH SA (CH) 2010-06-03 US disclosed
WO-2001092247-A2 PREPARATION OF 4-HYDROXY-3[2H]-FURANONES MAXYGEN, INC. (US) 2001-12-06 WO disclosed
EP-0685499-B1 Stable aqueous dispersion of fluorinated hydroxylated copolymers ATOCHEM ELF SA (FR) 1997-10-08 EP disclosed
EP-0685499-A1 Stable aqueous dispersion of fluorinated hydroxylated copolymers ELF ATOCHEM S.A. (FR) 1995-12-06 EP 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-20100137620-A1 PROCESS FOR THE PREPARATION OF 1,4-DIALKYL-2,3-DIOL-1,4-BUTANEDIONE BCKDK, ADH1C, HOGA1 ALDH1A1 43/4885LMNA 615/4885SLC15A2 3736/4885

“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.