Furfural

Furfural

SCHEMBL2201570

C=C.CCOC(C)OCC.O=Cc1ccco1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
POLB P06746 9/20 0.39
TDP1 Q9NUW8 4/20 0.39
MAPT P10636 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 2/20 0.38
ALOX5 P09917 1/20 0.38
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
HCAR2 Q8TDS4 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
Furfural SCHEMBL4869864 0.97 ALDH1A1 (0.60) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL5622383 0.94 ALDH1A1 (0.56) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL21383179 0.91 ALDH1A1 (0.53) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL20378730 0.88 ALDH1A1 (0.50) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL4538163 0.85 ALDH1A1 (0.46) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL896784 0.80 ALDH1A1 (0.69) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL23273775 0.79
Furfural SCHEMBL28226312 0.78 ALDH1A1 (0.67) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL2203874 0.77 ALDH1A1 (0.78) ALDH1A1POLBTDP1MAPTMEN1
Furfural SCHEMBL28172662 0.77 ALDH1A1 (0.64) ALDH1A1POLBTDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050418-A1 PRODUCTION OF BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2023-02-16 US disclosed
EP-4073021-A1 PRODUCTION OF BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2022-10-19 EP disclosed
WO-2021114207-A1 PRODUCTION OF BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2021-06-17 WO disclosed
US-7982046-B2 Method for the production of functionalized five-ring heterocycles, and use thereof CHEMETALL GMBH (DE) 2011-07-19 US disclosed
US-20090131685-A1 Method for the Production of Functionalized Five-Ring Heterocycles, and use thereof CHEMETALL GMBH (DE) 2009-05-21 US disclosed
EP-1280816-A1 19-NORBUFALIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-02-05 EP disclosed
WO-2001079256-A1 19-NORBUFALIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-10-25 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-20230050418-A1 PRODUCTION OF BENZENE DERIVATIVES CBR1, CBR3, BLVRB ALDH1A1 371/4885POLB 1353/4885TDP1 3168/4885
US-20090131685-A1 Method for the Production of Functionalized Five-Ring Heterocycles, and use thereof CYP3A5, CBR3, CYP2A7 ALDH1A1 965/4885POLB 4488/4885TDP1 4128/4885

“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.