Sugi Predict

Sugi Predict / Compounds / SCHEMBL3058101

SCHEMBL3058101

SCHEMBL3058101

CC(C)OCc1ccc(C=O)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ POLB P06746 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ STAT1 P42224 1/20 0.33
▸ ALDH1A3 P47895 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.30

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
SCHEMBL17262612 0.85 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL21145495 0.80 NPC1 (0.34) SMN1; SMN2L3MBTL1POLBKDM4ENPC1
SCHEMBL721921 0.79 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL1664017 0.79 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL278333 0.79 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL17695601 0.78 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL29398865 0.78 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL20496958 0.78 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL1426988 0.78 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT
SCHEMBL4311655 0.77 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2L3MBTL1HTT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483450-B Method for preparing 5-isopropoxy methyl furfural by catalyzing 5-hydroxymethyl furfural 昆明理工大学 2023-03-28 — — CN claimed
CN-112830916-B Preparation method of 2, 5-furandicarboxylic acid under mild condition 中国科学院宁波材料技术与工程研究所 2021-08-13 — — CN claimed
CN-110483450-A A method of catalysis 5 hydroxymethyl furfural prepares 5- i-propoxymethyl furfural UNIV KUNMING SCIENCE & TECHNOLOGY 2019-11-22 — — CN claimed
CN-106957289-B A kind of method that one kettle way situ catalytic carbohydrate prepares furans ethers 厦门大学 2019-11-08 — — CN claimed
CN-117816197-A Sulfonic acid functionalized zirconium-carbon coordination catalyst, preparation method and application thereof in synthesis of furyl diether liquid fuel 淮阴师范学院 2024-04-05 — — CN disclosed
CN-117619441-A Difunctional carbon-based solid acid catalyst, preparation method and application 淮阴师范学院 2024-03-01 — — CN disclosed
CN-110483450-B Method for preparing 5-isopropoxy methyl furfural by catalyzing 5-hydroxymethyl furfural 昆明理工大学 2023-03-28 — — CN disclosed
CN-110483450-B Method for preparing 5-isopropoxy methyl furfural by catalyzing 5-hydroxymethyl furfural 昆明理工大学 2023-03-28 — — CN disclosed
CN-110483450-B Method for preparing 5-isopropoxy methyl furfural by catalyzing 5-hydroxymethyl furfural 昆明理工大学 2023-03-28 — — CN disclosed
CN-112830916-B Preparation method of 2, 5-furandicarboxylic acid under mild condition 中国科学院宁波材料技术与工程研究所 2021-08-13 — — CN disclosed
CN-112830916-A Preparation method of 2, 5-furandicarboxylic acid under mild condition 中国科学院宁波材料技术与工程研究所 2021-05-25 — — CN disclosed
US-10875834-B2 Prodrug and protected forms of 5-hydroxymethylfurfuranal (5-HMF) and its derivatives VIRGINIA COMMONWEALTH UNIVERSITY (US) 2020-12-29 — — US disclosed
CN-106957289-A A kind of method that one kettle way situ catalytic carbohydrate prepares furans ethers 厦门大学 2017-07-18 — — CN disclosed
US-20160122450-A1 SYNTHESIS OF A SUBSTITUTED FURAN AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-05-05 — — US disclosed
US-20160122450-A1 SYNTHESIS OF A SUBSTITUTED FURAN AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-05-05 — — US disclosed
EP-2197867-B1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES BV (NL) 2016-03-02 — — EP disclosed
CN-102260229-A Method for preparing 5-hydroxymethylfurfural and 5-alkoxymethylfurfural — 2011-11-30 — — CN disclosed
US-20100218416-A1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2010-09-02 — — US disclosed
EP-2197867-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 — — EP disclosed
WO-2009030506-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 — — 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-10875834-B2 Prodrug and protected forms of 5-hydroxymethylfurfuranal (5-HMF) and its derivatives MTHFD1, MTHFD2, ADH5 ALDH1A1 27/4885TSHR 2756/4885SMN1; SMN2 384/4885
US-20160122450-A1 SYNTHESIS OF A SUBSTITUTED FURAN DCXR, PFAS, FUT6 ALDH1A1 516/4885TSHR 2815/4885SMN1; SMN2 4678/4885

“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.