SCHEMBL4136317

SCHEMBL4136317

CCC(=O)OCC(=O)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 3/20 0.61
TDP1 Q9NUW8 3/20 0.61
HPGD P15428 3/20 0.55
APOBEC3A P31941 1/20 0.55
ESR2 Q92731 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
NPC1 O15118 3/20 0.50
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL1916527 0.85 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTPOLBTDP1
SCHEMBL132742 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPTPOLBTDP1
SCHEMBL28318931 0.83 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTPOLBTDP1
SCHEMBL18640576 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTPOLBTDP1
SCHEMBL18640578 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTPOLBTDP1
SCHEMBL574955 0.82
SCHEMBL28287213 0.80 KMT2A (0.53) ALDH1A1L3MBTL1MAPTPOLBNPC1
SCHEMBL527564 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTPOLBTDP1
SCHEMBL527184 0.79 CES2 (0.57) ALDH1A1L3MBTL1MAPTPOLBTDP1
SCHEMBL28044209 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTPOLBTDP1

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 953/4885L3MBTL1 4692/4885MAPT 2974/4885

“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.