SCHEMBL20569428

SCHEMBL20569428

O=C(OCC(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.47
SERPINE1 P05121 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL17737704 0.88 PRKCA (0.65) PRKCAALDH1A1LMNA
SCHEMBL3624897 0.87 PRKCA (0.42) PRKCAALDH1A1LMNA
SCHEMBL17742660 0.86 TSHR (0.46) PRKCAALDH1A1
SCHEMBL4568743 0.84 TSHR (0.49) PRKCAALDH1A1
SCHEMBL25121437 0.81 TSHR (0.40) PRKCAALDH1A1
SCHEMBL25121438 0.81 PRKCA (0.36) PRKCA
SCHEMBL4568745 0.79 TSHR (0.43) PRKCAALDH1A1LMNA
SCHEMBL17737711 0.79 PRKCA (0.59) PRKCAALDH1A1LMNA
SCHEMBL11408358 0.76 HTT (0.34) PRKCAHTT
SCHEMBL25779930 0.75 TSHR (0.47) PRKCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814348-B2 Oxidizing liquid media for chemical transformations UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-11-14 US claimed
US-11814348-B2 Oxidizing liquid media for chemical transformations UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-11-14 US disclosed
US-11396492-B2 Direct oxidative amination of hydrocarbons UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-26 US disclosed
US-11078136-B2 Oxidation of alkane to alkene THE SCRIPPS RESEARCH INSTITUTE (US) 2021-08-03 US disclosed
US-20210163503-A1 OXIDIZING LIQUID MEDIA FOR CHEMICAL TRANSFORMATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-03 US disclosed
US-10858301-B2 Direct oxidation of olefins to oxygenated species THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20200377448-A1 DIRECT OXIDATIVE AMINATION OF HYDROCARBONS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-03 US disclosed
EP-3717454-A1 DIRECT OXIDATIVE AMINATION OF HYDROCARBONS The Scripps Research Institute (US) 2020-10-07 EP disclosed
EP-3634926-A1 OXIDIZING LIQUID MEDIA FOR CHEMICAL TRANSFORMATIONS The Scripps Research Institute (US) 2020-04-15 EP disclosed
EP-3634927-A1 DIRECT OXIDATION OF OLEFINS TO OXYGENATED SPECIES The Scripps Research Institute (US) 2020-04-15 EP disclosed
EP-3634925-A1 OXIDATION OF ALKANE TO ALKENE The Scripps Research Institute (US) 2020-04-15 EP disclosed
US-20200095179-A1 OXIDATION OF ALKANE TO ALKENE THE SCRIPPS RESEARCH INSTITUTE (US) 2020-03-26 US disclosed
US-20200095183-A1 DIRECT OXIDATION OF OLEFINS TO OXYGENATED SPECIES THE SCRIPPS RESEARCH INSTITUTE (US) 2020-03-26 US disclosed
WO-2018218186-A1 DIRECT OXIDATION OF OLEFINS TO OXYGENATED SPECIES THE SCRIPPS RESEARCH INSTITUTE (US) 2018-11-29 WO disclosed
WO-2018218176-A1 OXIDATION OF ALKANE TO ALKENE THE SCRIPPS RESEARCH INSTITUTE (US) 2018-11-29 WO disclosed
WO-2018218171-A1 OXIDIZING LIQUID MEDIA FOR CHEMICAL TRANSFORMATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2018-11-29 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 (8 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-20210163503-A1 OXIDIZING LIQUID MEDIA FOR CHEMICAL TRANSFORMATIONS HAO2, LPO, DUOX1 PRKCA 2439/4885SERPINE1 3076/4885ALDH1A1 785/4885
US-20200095183-A1 DIRECT OXIDATION OF OLEFINS TO OXYGENATED SPECIES LPO, HAO2, ADH1A PRKCA 2614/4885SERPINE1 1941/4885ALDH1A1 48/4885
US-11396492-B2 Direct oxidative amination of hydrocarbons GPX4, AOC2, NOX1 PRKCA 4204/4885SERPINE1 4418/4885ALDH1A1 438/4885
US-20200377448-A1 DIRECT OXIDATIVE AMINATION OF HYDROCARBONS GPX4, AOC2, NOX1 PRKCA 4204/4885SERPINE1 4418/4885ALDH1A1 438/4885
US-11078136-B2 Oxidation of alkane to alkene LPO, ALK, HAO2 PRKCA 3110/4885SERPINE1 2854/4885ALDH1A1 44/4885
US-10858301-B2 Direct oxidation of olefins to oxygenated species LPO, HAO2, ADH1A PRKCA 2614/4885SERPINE1 1941/4885ALDH1A1 48/4885
US-11814348-B2 Oxidizing liquid media for chemical transformations HAO2, LPO, DUOX1 PRKCA 2439/4885SERPINE1 3076/4885ALDH1A1 785/4885
US-20200095179-A1 OXIDATION OF ALKANE TO ALKENE LPO, ALK, HAO2 PRKCA 3110/4885SERPINE1 2854/4885ALDH1A1 44/4885

“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.