SCHEMBL4228029

SCHEMBL4228029

CCOCOC(=O)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.48
ABL1 P00519 1/20 0.47
F2 P00734 1/20 0.47
HPGD P15428 1/20 0.47
RIN1 Q13671 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL859237 0.86 NPC1 (0.61) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3943290 0.84 KMT2A (0.56) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27676954 0.84 NPC1 (0.60) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL28204092 0.84 NPC1 (0.60) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL11523230 0.84 ALDH1A1 (0.55) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL28287213 0.83 KMT2A (0.53) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL27999644 0.81 KMT2A (0.54) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL28356552 0.80 NPC1 (0.56) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL1532433 0.79 KMT2A (0.73) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL11039202 0.78 ALDH1A1 (0.62) KMT2AALDH1A1NPC1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364662-B Efficient process for producing 5- (alkoxycarbonyl) -furan-2-carboxylic acid 伊士曼化工公司 2024-07-12 CN disclosed
CN-117677611-A Purification process for 5- (methoxycarbonyl) furan-2-carboxylic acid (MCFC) 伊士曼化工公司 2024-03-08 CN disclosed
CN-117355509-A Mother liquor composition produced in MCFC process 伊士曼化工公司 2024-01-05 CN disclosed
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 KMT2A 827/4885ALDH1A1 26/4885NPC1 4876/4885

“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.