SCHEMBL3200725

SCHEMBL3200725

O=C(O)C(=Cc1ccc(CO)o1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 2/20 0.58
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
G6PC1 P35575 1/20 0.42
GLO1 Q04760 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL21950480 0.83 KMT2A (0.48) ALDH1A1TSHRTDP1KMT2AL3MBTL1
SCHEMBL28449617 0.80 ALDH1A1 (0.51) ALDH1A1TSHRTDP1MAPTPOLB
SCHEMBL25234579 0.77 EPHX2 (0.55) ALDH1A1TDP1KMT2AL3MBTL1MAPT
SCHEMBL21950479 0.77 MEN1 (0.51) ALDH1A1TSHRTDP1KMT2AL3MBTL1
Aes-103 SCHEMBL28397815 0.75 ALDH1A1 (0.92) ALDH1A1TSHRTDP1L3MBTL1MAPT
SCHEMBL3202914 0.74 ALDH1A1 (0.58) ALDH1A1TSHRTDP1KMT2AL3MBTL1
SCHEMBL3202919 0.74 ALDH1A1 (0.58) ALDH1A1TSHRTDP1KMT2AL3MBTL1
Aes-103 SCHEMBL31307749 0.74
SCHEMBL11926985 0.73 ALDH1A1 (0.73) ALDH1A1TDP1KMT2AL3MBTL1MAPT
Aes-103 SCHEMBL34460875 0.73 ALDH1A1 (0.71) ALDH1A1TSHRTDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236972-B2 Reacting biomass-derived furfural and malonic acid using basic catalysts to form a Knoevenagel product such as 2-(furan-2-ylmethylene)malonic acid, followed by hydrodeoxygenation to branched alkanes, or branched alkene product; biogasoline; cost efficiency GEORGIA TECH RESEARCH CORPORATION (US) 2012-08-07 US claimed
US-20100029926-A1 MOLECULAR MASS ENHANCEMENT OF BIOLOGICAL FEEDSTOCKS GEORGIA TECH RESEARCH CORPORATION (US) 2010-02-04 US claimed
US-20200123122-A1 PRODUCTION AND USE OF FURAN COMPOUNDS COÖPERATIE KONINKLIJKE COSUN U.A. (NL) 2020-04-23 US disclosed
US-20200123122-A1 PRODUCTION AND USE OF FURAN COMPOUNDS COÖPERATIE KONINKLIJKE COSUN U.A. (NL) 2020-04-23 US disclosed
US-8236972-B2 Reacting biomass-derived furfural and malonic acid using basic catalysts to form a Knoevenagel product such as 2-(furan-2-ylmethylene)malonic acid, followed by hydrodeoxygenation to branched alkanes, or branched alkene product; biogasoline; cost efficiency GEORGIA TECH RESEARCH CORPORATION (US) 2012-08-07 US disclosed
US-8236972-B2 Reacting biomass-derived furfural and malonic acid using basic catalysts to form a Knoevenagel product such as 2-(furan-2-ylmethylene)malonic acid, followed by hydrodeoxygenation to branched alkanes, or branched alkene product; biogasoline; cost efficiency GEORGIA TECH RESEARCH CORPORATION (US) 2012-08-07 US disclosed
US-20100029926-A1 MOLECULAR MASS ENHANCEMENT OF BIOLOGICAL FEEDSTOCKS GEORGIA TECH RESEARCH CORPORATION (US) 2010-02-04 US disclosed
US-20100029926-A1 MOLECULAR MASS ENHANCEMENT OF BIOLOGICAL FEEDSTOCKS GEORGIA TECH RESEARCH CORPORATION (US) 2010-02-04 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 (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-20200123122-A1 PRODUCTION AND USE OF FURAN COMPOUNDS FDPS, FASN, PFKFB4 ALDH1A1 555/4885TSHR 4795/4885TDP1 4139/4885

“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.