SCHEMBL529030

SCHEMBL529030

CC(C)CCOc1ccoc1C=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.36
TLR8 Q9NR97 1/20 0.35
MCHR1 Q99705 1/20 0.35
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27706339 0.78 LMNA (0.44) TDP1ALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL9186294 0.73 PKM (0.42) HTTTDP1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL14841685 0.71 HTT (0.51) HTTTDP1MAPK1EPHX2TLR8
SCHEMBL1852272 0.71 ALDH1A1 (0.69) HTTTLR8MCHR1IDO1ALDH1A1
SCHEMBL515127 0.71
SCHEMBL30834676 0.69 FDPS (0.63) HTTTDP1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4290266 0.69 FDPS (0.63) HTTTDP1ALDH1A1SMN1; SMN2HPGD
SCHEMBL28801573 0.69 FDPS (0.50) HTTTDP1ALDH1A1SMN1; SMN2THRA
SCHEMBL10446977 0.67 EP300 (0.35) TDP1ALDH1A1HPGD
SCHEMBL16203086 0.67 TDP1 (0.43) HTTTDP1MAPK1EPHX2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598466-B1 MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ARCHER DANIELS MIDLAND CO (US) 2016-09-28 EP disclosed
CN-105418550-A MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ARCHER DANIELS MIDLAND CO 2016-03-23 CN disclosed
CN-103025697-B Microwave-assisted synthesis of anhydrosugar derivatives hydroxymethylfurfural, levulinic acid, anhydrosugar alcohols, and ethers thereof ARCHER DANIELS MIDLAND CO. (US) 2015-10-21 CN disclosed
US-20150284354-A1 MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ARCHER DANIELS MIDLAND COMPANY 2015-10-08 US disclosed
US-9090550-B2 Microwave assisted synthesis of dehydrated sugar derivatives hydroxymethylfurfural, levulinic acid, anhydrosugar alcohols, and ethers thereof ARCHER DANIELS MIDLAND COMPANY (US) 2015-07-28 US disclosed
CN-104447779-A MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ARCHER DANIELS MIDLAND CO 2015-03-25 CN disclosed
EP-2598466-A1 MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF Archer-Daniels-Midland Company (US) 2013-06-05 EP disclosed
US-20130123520-A1 MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2013-05-16 US disclosed
CN-103025697-A Microwave-assisted synthesis of anhydrosugar derivatives hydroxymethylfurfural, levulinic acid, anhydrosugar alcohols, and ethers thereof ARCHER DANIELS MIDLAND CO 2013-04-03 CN disclosed
WO-2012015616-A1 MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2012-02-02 WO 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 (2 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-20150284354-A1 MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ALDOA, SORD, ADH1C HTT 1401/4885TDP1 4166/4885MAPK1 3609/4885
US-20130123520-A1 MICROWAVE ASSISTED SYNTHESIS OF DEHYDRATED SUGAR DERIVATIVES HYDROXYMETHYLFURFURAL, LEVULINIC ACID, ANHYDROSUGAR ALCOHOLS, AND ETHERS THEREOF ALDOA, SORD, ADH1C HTT 1401/4885TDP1 4166/4885MAPK1 3609/4885

“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.