SCHEMBL4136310

SCHEMBL4136310

CCC(=O)OCc1ccoc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
GAA P10253 2/20 0.32
HTT P42858 1/20 0.31
MAPK1 P28482 2/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1916524 0.86 ALDH1A1 (0.32) ALDH1A1MAPK1L3MBTL1
SCHEMBL132741 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10CYP1A2CYP2C19
SCHEMBL28044210 0.80 ELANE (0.39) ALDH1A1KDM4ENPSR1CYP1A2CYP2C19
SCHEMBL527563 0.77
SCHEMBL527183 0.76 HSD17B3 (0.32) POLBTDP1L3MBTL1
SCHEMBL2304698 0.76 ALDH1A1 (0.31) ALDH1A1
Water SCHEMBL4228027 0.76 KDM4E (0.32) ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL574954 0.75
SCHEMBL9036065 0.75 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EHSD17B10NPSR1
Water SCHEMBL2637003 0.74 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156841-A1 CONVERSION OF CARBOHYDRATES TO HYDROXYMETHYLFURFURAL (HMF) AND DERIVATIVES ARCHER DANIELS MIDLAND CO. 2009-06-18 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-20090156841-A1 CONVERSION OF CARBOHYDRATES TO HYDROXYMETHYLFURFURAL (HMF) AND DERIVATIVES HPD, FOS, MCCC2 ALDH1A1 953/4885HPGD 214/4885KDM4E 1681/4885

“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.