SCHEMBL19458016

SCHEMBL19458016

CC(=O)OC(=O)C(I)(I)I

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19458015 0.81
SCHEMBL4854325 0.78 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4316110 0.73 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL214755 0.73 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL150680 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
Methyl Alcohol SCHEMBL9630414 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL968944 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL21831923 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL9866292 0.69
SCHEMBL1331774 0.69

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
EP-3231795-B1 METHOD FOR PREPARING 2,5-DISUBSTITUTED FURAN COMPOUND NINGBO INST MATERIALS TECH & ENG CAS (CN) 2021-09-15 EP claimed
CN-112409305-A Preparation method of 2, 5-diacyl furan compound 中国科学院宁波材料技术与工程研究所 2021-02-26 CN claimed
US-10125110-B2 Method for preparing 2,5-disubstituted furan compound NINGBO INSTITUTE OF MATERIALS TECHNOLOGY & ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2018-11-13 US claimed
US-20170320844-A1 METHOD FOR PREPARING 2,5-DISUBSTITUTED FURAN COMPOUND NINGBO INSTITUTE OF MATERIALS TECHNOLOGY & ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2017-11-09 US claimed
CN-112409305-A Preparation method of 2, 5-diacyl furan compound 中国科学院宁波材料技术与工程研究所 2021-02-26 CN disclosed
US-10125110-B2 Method for preparing 2,5-disubstituted furan compound NINGBO INSTITUTE OF MATERIALS TECHNOLOGY & ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2018-11-13 US disclosed
US-20170320844-A1 METHOD FOR PREPARING 2,5-DISUBSTITUTED FURAN COMPOUND NINGBO INSTITUTE OF MATERIALS TECHNOLOGY & ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2017-11-09 US disclosed
EP-3231795-A1 METHOD FOR PREPARING 2,5-DISUBSTITUTED FURAN COMPOUND Ningbo Institute Of Material Technology And Engineering Chinese Academy of Sciences (CN) 2017-10-18 EP 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-20170320844-A1 METHOD FOR PREPARING 2,5-DISUBSTITUTED FURAN COMPOUND ALOX5, PFAS, APEH ALDH1A1 561/4885TSHR 4544/4885HSD17B10 804/4885
US-10125110-B2 Method for preparing 2,5-disubstituted furan compound ALOX5, PFAS, APEH ALDH1A1 561/4885TSHR 4544/4885HSD17B10 804/4885

“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.