SCHEMBL801

SCHEMBL801

CC(=O)OC(=O)CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.30
GAA P10253 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
Methylene Chloride SCHEMBL28135451 0.93 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28841925 0.86 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL800 0.84 ALDH1A1 (0.35) ALDH1A1HTT
SCHEMBL775457 0.80 ALDH1A1 (0.40) ALDH1A1TDP1HTT
SCHEMBL2182293 0.77 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1LMNA
Methylene Chloride SCHEMBL28135450 0.77 HTT (0.31) ALDH1A1HTT
SCHEMBL25239528 0.76
Dimethyl Sulfoxide SCHEMBL9484693 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7261664 0.76 HSD17B10 (0.44) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL25286952 0.75 HTT (0.30) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274833-A1 PROCESS FOR MANUFACTURING AN AQUEOUS HYDROGEN PEROXIDE SOLUTION SOLVAY SA (BE) 2022-09-01 US claimed
EP-4028386-A1 PROCESS FOR MANUFACTURING AN AQUEOUS HYDROGEN PEROXIDE SOLUTION SOLVAY SA (BE) 2022-07-20 EP claimed
CN-109317194-B Catalyst for one-step synthesis of cyclic dipeptide and application thereof 安阳师范学院 2021-08-24 CN claimed
WO-2021048368-A1 PROCESS FOR MANUFACTURING AN AQUEOUS HYDROGEN PEROXIDE SOLUTION SOLVAY SA (BE) 2021-03-18 WO claimed
CN-106831636-A A kind of preparation method of oxadiazole compound 湖南华腾制药有限公司 2017-06-13 CN claimed
US-12606557-B2 Substituted indoles with inhibitory activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-21 US disclosed
CN-116262675-B Method for preparing malononitrile oxime ether compound 沈阳中化农药化工研发有限公司 2025-01-03 CN disclosed
CN-116496635-B Synthesis method of vat blue 宁夏保隆科技有限公司 2024-08-23 CN disclosed
US-11939327-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-26 US disclosed
EP-3693360-B1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2023-12-13 EP disclosed
US-20230278999-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-07 US disclosed
CN-116496635-A Synthesis method of vat blue 宁夏保隆科技有限公司 2023-07-28 CN disclosed
EP-0371179-A1 Novel analogs of peptidase substrates MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP disclosed
EP-0368719-A2 Novel analogs of peptidase substrates MERRELL PHARMACEUTICALS INC. (US) 1990-05-16 EP disclosed
EP-0364344-A2 Novel peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-04-18 EP disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
CN-1040582-A New peptidase inhibitors MERRELL DOW PHARMA (US) 1990-03-21 CN disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO disclosed
EP-0275101-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1988-07-20 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 (3 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-20230278999-A1 HETEROCYCLIC COMPOUNDS GRIN2C, GRIN1, GRIN2A ALDH1A1 135/4885TSHR 571/4885HSD17B10 906/4885
US-12606557-B2 Substituted indoles with inhibitory activity IDO1, BCL9, IDO2 ALDH1A1 754/4885TSHR 500/4885HSD17B10 570/4885
US-11939327-B2 Heterocyclic compounds GRIN2C, GRIN1, GRIN2A ALDH1A1 147/4885TSHR 569/4885HSD17B10 922/4885

“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.