SCHEMBL882803

SCHEMBL882803

O=CC(=O)C=CC(O)CO

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46

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
SCHEMBL30117656 1.00 AKR1B1 (0.46) AKR1B1
SCHEMBL15117041 1.00 AKR1B1 (0.46) AKR1B1
SCHEMBL18153853 0.75
SCHEMBL23927632 0.75
SCHEMBL4559187 0.75
SCHEMBL619201 0.73
Ethylene Glycol SCHEMBL1631800 0.71 AKR1B1 (0.40) AKR1B1
Ethylene Glycol SCHEMBL1630734 0.71 AKR1B1 (0.40) AKR1B1
Ethylene Glycol SCHEMBL1631025 0.71 AKR1B1 (0.40) AKR1B1
SCHEMBL763251 0.70

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315262-A1 PROCESS FOR MAKING HMF AND HMF DERIVATIVES FROM SUGARS, WITH RECOVERY OF UNREACTED SUGARS SUITABLE FOR DIRECT FERMENTATION TO ETHANOL ARCHER DANIELS MIDLAND COMPANY (US) 2014-10-23 US disclosed
US-20140315262-A1 PROCESS FOR MAKING HMF AND HMF DERIVATIVES FROM SUGARS, WITH RECOVERY OF UNREACTED SUGARS SUITABLE FOR DIRECT FERMENTATION TO ETHANOL ARCHER DANIELS MIDLAND COMPANY (US) 2014-10-23 US disclosed
WO-2012038967-A1 METHOD FOR CONVERTING SUCROSE TO 5 - HMF USING A LANTHANUM CONTAINING POROUS SILICA CATALYST YADAV GANAPATI DADASAHEB (IN) 2012-03-29 WO disclosed
US-20090156841-A1 CONVERSION OF CARBOHYDRATES TO HYDROXYMETHYLFURFURAL (HMF) AND DERIVATIVES ARCHER DANIELS MIDLAND CO. 2009-06-18 US disclosed
US-20090030215-A1 METHOD FOR PRODUCTION OF 5-HYDROXYMETHYL-2-FURFURAL FROM FRUCTOSE DIGNAN CHRISTINE 2009-01-29 US disclosed
US-20070232796-A1 Medical Solution, a Method for Producing Said Medical Solution and Use Thereof GAMBRO LUNDIA AB 2007-10-04 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 (4 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-20140315262-A1 PROCESS FOR MAKING HMF AND HMF DERIVATIVES FROM SUGARS, WITH RECOVERY OF UNREACTED SUGARS SUITABLE FOR DIRECT FERMENTATION TO ETHANOL ADH1C, ALDOA, GMDS AKR1B1 340/4885
US-20070232796-A1 Medical Solution, a Method for Producing Said Medical Solution and Use Thereof SLC5A2, SLC5A1, MGAM AKR1B1 647/4885
US-20090156841-A1 CONVERSION OF CARBOHYDRATES TO HYDROXYMETHYLFURFURAL (HMF) AND DERIVATIVES HPD, FOS, MCCC2 AKR1B1 1617/4885
US-20090030215-A1 METHOD FOR PRODUCTION OF 5-HYDROXYMETHYL-2-FURFURAL FROM FRUCTOSE IMPDH2, ALDOA, IMPDH1 AKR1B1 664/4885

“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.