SCHEMBL136808

SCHEMBL136808

CCCCOCc1ccoc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2C19 P33261 2/20 0.31
LMNA P02545 2/20 0.31
ESR1 P03372 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H2 P55055 1/20 0.31
RNASEL Q05823 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 2/20 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
Water SCHEMBL16197955 0.98 TSHR (0.38) TSHRALDH1A1CYP3A4TDP1GAA
Ether SCHEMBL16197952 0.96 ALDH1A1 (0.36) TSHRALDH1A1CYP3A4TDP1GAA
SCHEMBL27899954 0.84 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4HPGDLTA4H
SCHEMBL527563 0.83
SCHEMBL2304698 0.83 ALDH1A1 (0.31) ALDH1A1
Water SCHEMBL4228027 0.82 KDM4E (0.32) ALDH1A1HPGD
SCHEMBL28024394 0.79 NR5A1 (0.35) TSHRALDH1A1CYP3A4TDP1SMN1; SMN2
SCHEMBL1760841 0.78 CTRC (0.39) ALDH1A1CYP3A4TDP1GAAL3MBTL1
SCHEMBL2578095 0.77 HIF1A (0.40) TSHRCYP3A4TDP1HTTNR1H2
SCHEMBL527183 0.76 HSD17B3 (0.32) TDP1L3MBTL1

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 61 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-101827833-A Mixture of furfural and 5-(alkoxymethyl)furfural derivatives from sugars and alcohols FURANIX TECHNOLOGIES BV 2010-09-08 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 TSHR 2584/4885ALDH1A1 26/4885CYP3A4 556/4885

“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.