Furfural

Furfural

SCHEMBL4228024

CCOCOCOCC.O=Cc1ccco1

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
POLB P06746 9/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
BLM P54132 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Furfural SCHEMBL896784 0.91 ALDH1A1 (0.69) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL3943284 0.84 ALDH1A1 (0.55) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL2203874 0.81 ALDH1A1 (0.78) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL28172662 0.81 ALDH1A1 (0.64) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL11318425 0.80 ALDH1A1 (0.75) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL153707 0.80 ALDH1A1 (0.75) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL28836554 0.79 ALDH1A1 (0.82) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL10811266 0.79 ALDH1A1 (1.00) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL626705 0.79 ALDH1A1 (1.00) ALDH1A1POLBTDP1MAPTL3MBTL1
Furfural SCHEMBL20439 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183020-B2 Enzymatic oxidation of hydroxymethylfurfural ARCHER DANIELS MIDLAND COMPANY (US) 2012-05-22 US disclosed
US-20090053780-A1 Enzymatic oxidation of HMF ARCHER DANIELS MIDLAND CO. 2009-02-26 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 ALDH1A1 26/4885POLB 1087/4885TDP1 835/4885

“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.