SCHEMBL136809

SCHEMBL136809

CCCCOCC(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 4/20 0.53
POLB P06746 3/20 0.51
TSHR P16473 2/20 0.51
HDAC3 O15379 1/20 0.49
MAPT P10636 5/20 0.48
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
ADRB2 P07550 1/20 0.45
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4136311 0.90 KMT2A (0.50) KMT2AMEN1POLBTSHRHDAC3
SCHEMBL14798139 0.84 KMT2A (0.47) KMT2AMEN1POLBTSHRHDAC3
SCHEMBL527564 0.83 ALDH1A1 (0.50) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL14798145 0.79 TSHR (0.43) KMT2AMEN1POLBTSHRHDAC3
SCHEMBL3943290 0.79 KMT2A (0.56) KMT2AMEN1POLBTSHRHDAC3
SCHEMBL3507027 0.78 HDAC3 (0.55) KMT2AMEN1POLBTSHRHDAC3
SCHEMBL2418046 0.78 KMT2A (0.65) KMT2AMEN1POLBTSHRHDAC3
SCHEMBL1531620 0.77 GAA (0.57) KMT2AMEN1POLBHDAC3MAPT
SCHEMBL18640578 0.77 ALDH1A1 (0.53) KMT2AMEN1POLBTSHRHDAC3
SCHEMBL18640576 0.77 ALDH1A1 (0.53) KMT2AMEN1POLBTSHRHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801528-B With metal catalyst reduction HMF ether 阿彻丹尼尔斯米德兰德公司 2019-06-21 CN disclosed
EP-2784069-B2 Oxidation of 5-alkoxy-furfural to 5-(alkoxycarbonyl)furan-2-carboxylic acid ARCHER DANIELS MIDLAND CO (US) 2019-05-01 EP disclosed
EP-3133064-B1 PROCESS FOR THE PREPARATION OF 2,5-FURANDICARBOXYLIC ACID (FDCA) BY OXIDATION OF 5-(ALKYLOXYMETHYL)FURFURAL (AMF) WITH OXYGEN IN THE PRESENCE OF A CO(II) OR CE(III) CATALYST, A BROMIDE SALT AND A SOLVENT ARCHER DANIELS MIDLAND CO (US) 2019-03-20 EP disclosed
EP-3257845-A1 PREPARATION OF 2,5-FURANDICARBOXYLIC ACID BY OXIDATION OF 5-(ACETOXYMETHYL)FURFURAL IN THE PRESENCE OF A BROMIDE, OXYGEN AND A COBALT(II) OR CERIUM(III) CATALYST Archer Daniels Midland Company (US) 2017-12-20 EP disclosed
US-9783516-B2 Reduction of HMF ethers with metal catalyst ARCHER DANIELS MIDLAND CO. (US) 2017-10-10 US disclosed
US-9643945-B2 Process for the preparation of 2,5-furan-dicarboxylic acid FURANIX TECHNOLOGIES B.V. (NL) 2017-05-09 US disclosed
CN-104744414-B Oxidation Of Furfural Compounds 阿彻丹尼尔斯米德兰德公司 2017-04-12 CN disclosed
EP-3133064-A1 PROCESS FOR THE PREPARATION OF 2,5-FURANDICARBOXYLIC ACID (FDCA) BY OXIDATION OF 5-(HYDROXYMETHYL)FURFURAL (HMF) OR 5-(ALKYLOXYMETHYL)FURFURAL (AMF) WITH OXYGEN IN THE PRESENCE OF A CO(II) OR CE(III) CATALYST, A BROMIDE SALT AND A SOLVENT Archer Daniels Midland Company (US) 2017-02-22 EP disclosed
CN-103626639-B With metal catalyst reduction HMF ether 阿彻丹尼尔斯米德兰德公司 2016-12-07 CN disclosed
EP-2981528-B1 PROCESS FOR THE PREPARATION OF 2,5-FURAN-DICARBOXYLIC ACID FURANIX TECHNOLOGIES BV (NL) 2016-11-30 EP disclosed
CN-101809010-A hydroxymethylfurfural ethers from sugars or hmf and mixed alcohols FURANIX TECHNOLOGIES BV 2010-08-18 CN disclosed
EP-2197868-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND MIXED ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 EP disclosed
WO-2010062689-A2 REDUCTION OF HMF ETHERS WITH METAL CATALYST ARCHER DANIELS MIDLAND COMPANY (US) 2010-06-03 WO disclosed
US-20100058650-A1 For example, 5-ethoxymethylfurfural; use of mixed alcohols in reaction mixture to prevent product crystallization; end use as renewable biofuel or fuel additive, or as renewable raw material to make monomers such as furandicarboxylic acid FURANIX TECHNOLOGIES B.V. (NL) 2010-03-11 US disclosed
WO-2009030508-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND MIXED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO disclosed
US-20090053780-A1 Enzymatic oxidation of HMF ARCHER DANIELS MIDLAND CO. 2009-02-26 US disclosed
WO-2009023174-A2 ENZYMATIC OXIDATION OF HMF ARCHER DANIELS MIDLAND COMPANY (US) 2009-02-19 WO disclosed
US-20080221236-A1 Furanic grouts BATTELLE MEMORIAL INSTITUTE 2008-09-11 US disclosed
US-20080207796-A1 Furanic resin aggregate binders and method BATTELLE MEMORIAL INSTITUTE 2008-08-28 US disclosed
US-20080207795-A1 Binder Formulations Utilizing Furanic Components BATTELLE MEMORIAL INSTITUTE 2008-08-28 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-20090053780-A1 Enzymatic oxidation of HMF AOX1, ADH1C, HPD KMT2A 827/4885MEN1 4084/4885POLB 1087/4885

“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.