SCHEMBL4797496

SCHEMBL4797496

CC(=O)C(=O)OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
FABP7 O15540 1/20 0.33
GLO1 Q04760 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
PLA2G2C Q5R387 1/20 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
SCHEMBL4672613 0.85 HTT (0.50) HTTALDH1A1HSD17B10MEN1TSHR
SCHEMBL1143909 0.84 HTT (0.59) HTTALDH1A1HSD17B10MEN1TSHR
SCHEMBL14281229 0.81 HTT (0.32) HTTGLO1
SCHEMBL36595 0.81 TSHR (0.48) HTTALDH1A1HSD17B10MEN1TSHR
SCHEMBL28031899 0.81 TSHR (0.48) HTTALDH1A1HSD17B10MEN1TSHR
SCHEMBL19796057 0.81 HTT (0.46) HTTALDH1A1HSD17B10MEN1TSHR
SCHEMBL3795624 0.79 HTT (0.45) HTTALDH1A1HSD17B10MEN1TSHR
Fluoride SCHEMBL28255897 0.79 TSHR (0.47) HTTALDH1A1HSD17B10MEN1TSHR
SCHEMBL333504 0.79
SCHEMBL15369326 0.78 HTT (0.48) HTTALDH1A1HSD17B10MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524777-B Synthesis method of dihydro-oxazole compound 南京先进生物材料与过程装备研究院有限公司 2023-10-10 CN claimed
CN-114524777-B Synthesis method of dihydro-oxazole compound 南京先进生物材料与过程装备研究院有限公司 2023-10-10 CN disclosed
US-20220123241-A1 PREPARATION AND LAYER NeuDrive Llimited (GB) 2022-04-21 US disclosed
EP-3464252-B1 FLUOROCHEMICAL PIPERAZINE CARBOXAMIDES 3M INNOVATIVE PROPERTIES CO (US) 2020-03-25 EP disclosed
US-10578969-B2 Photoresist topcoat compositions and methods of processing photoresist compositions ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2020-03-03 US disclosed
US-20190235385-A1 PHOTORESIST TOPCOAT COMPOSITIONS AND METHODS OF PROCESSING PHOTORESIST COMPOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2019-08-01 US disclosed
CN-101124220-B 5-substituted quinoline and isoquinoline derivatives, process for their preparation and their use as anti-inflammatory agents BAYER SCHERING PHARMA AG 2012-04-25 CN disclosed
US-7417056-B2 5-substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2008-08-26 US disclosed
CN-101124220-A 5-substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2008-02-13 CN disclosed
US-20060116396-A1 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-01 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-20060116396-A1 5-Substituted quinoline and isoquinoline derivatives, a process for their production and their use as anti-inflammatory agents NFKBIA, PTGS2, PTGES2 HTT 3447/4885ALDH1A1 760/4885HSD17B10 1610/4885

“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.