SCHEMBL3310045

SCHEMBL3310045

CS(=O)(=O)OCCCOc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
DRD3 P35462 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC1 Q13547 1/20 0.48
PPARG P37231 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AGXT P21549 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PTPN7 P35236 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRAS P01112 1/20 0.45
KRAS P01116 1/20 0.45

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
SCHEMBL30189577 1.00 KDM4E (0.54) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL6276180 0.92 KDM4E (0.61) KDM4ETDP1MAPK1NPC1RAB9A
Busulfan SCHEMBL16337522 0.82 KDM4E (0.65) KDM4EALDH1A1LMNACA1CA2
SCHEMBL29429997 0.82 TDP1 (0.76) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL1859481 0.82 TDP1 (0.76) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL28499516 0.82 KDM4E (0.56) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL1036616 0.82 TDP1 (0.49) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL4741970 0.81 KCNA3 (0.56) KDM4EDRD3ALDH1A1HDAC1LMNA
SCHEMBL16478997 0.80 KDM4E (0.50) KDM4ETDP1MAPK1NPC1RAB9A
SCHEMBL30176806 0.80 PDE10A (0.52) KDM4ETDP1NPC1RAB9ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574515-B Preparation method and purification method of organic fluorinated aliphatic compound 财团法人峨山社会福祉财团 2023-01-10 CN disclosed
EP-3757101-B1 PROCESS FOR PRODUCING FLUORINATED COMPOUNDS USING AN ALCOHOL SOLVENT HAVING AN UNSATURATED HYDROCARBON GROUP FUTURECHEM CO LTD (KR) 2022-09-28 EP disclosed
US-11306091-B2 Process for producing fluorinated compounds using alcohol solvent having unsaturated hydrocarbon FUTURECHEM CO., LTD (KR) 2022-04-19 US disclosed
CN-107001213-B Preparation method and purification method of organic compound with fluorinated aliphatic group 财团法人峨山社会福祉财团 2021-01-15 CN disclosed
US-20200407360-A1 Process for Producing Fluorinated Compounds Using Alcohol Solvent Having Unsaturated Hydrocarbon FUTURECHEM CO., LTD (KR) 2020-12-31 US disclosed
US-20200407360-A1 Process for Producing Fluorinated Compounds Using Alcohol Solvent Having Unsaturated Hydrocarbon FUTURECHEM CO., LTD (KR) 2020-12-31 US disclosed
EP-3757101-A1 PROCESS FOR PRODUCING FLUORINATED COMPOUNDS USING AN ALCOHOL SOLVENT HAVING AN UNSATURATED HYDROCARBON GROUP Futurechem Co., Ltd. (KR) 2020-12-30 EP disclosed
EP-3757101-A1 PROCESS FOR PRODUCING FLUORINATED COMPOUNDS USING AN ALCOHOL SOLVENT HAVING AN UNSATURATED HYDROCARBON GROUP Futurechem Co., Ltd. (KR) 2020-12-30 EP disclosed
EP-3216780-B1 METHOD FOR PREPARING ORGANIC FLUORIDE-ALIPHATIC COMPOUND AND METHOD FOR PURIFYING ORGANIC FLUORIDE-ALIPHATIC COMPOUND ASAN FOUND (KR) 2020-10-07 EP disclosed
CN-111662343-A Method for producing fluorine-containing compound using alcohol solvent having unsaturated hydrocarbon 未来化学株式会社 2020-09-15 CN disclosed
WO-2013176522-A1 METHOD FOR SYNTHESIZING RADIOPHARMACEUTICALS USING A CARTRIDGE 서강대학교산학협력단 (KR) 2013-11-28 WO disclosed
US-7847092-B2 Method for preparation of F-18 containing organofluoro compounds in alcohol solvents FUTURECHEM CO., LTD. (KR) 2010-12-07 US disclosed
US-7847092-B2 Method for preparation of F-18 containing organofluoro compounds in alcohol solvents FUTURECHEM CO., LTD. (KR) 2010-12-07 US disclosed
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2010-05-06 US disclosed
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2010-05-06 US disclosed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 US disclosed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 US disclosed
EP-1824805-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS Futurechem Co., Ltd. (KR) 2007-08-29 EP disclosed
WO-2006065038-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS FUTURECHEM CO., LTD. (KR) 2006-06-22 WO disclosed
WO-2003076366-A2 A METHOD FOR PREPARING ORGANIC FLUOROCOMPOUNDS CHEMTECH RESEARCH INCORPORATION (KR) 2003-09-18 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 (4 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-20200407360-A1 Process for Producing Fluorinated Compounds Using Alcohol Solvent Having Unsaturated Hydrocarbon FASN, CYP2F1, FDFT1 KDM4E 3974/4885TDP1 2600/4885MAPK1 1383/4885
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents ADH5, ADH1C, ADH1A KDM4E 2630/4885TDP1 2689/4885MAPK1 2331/4885
US-11306091-B2 Process for producing fluorinated compounds using alcohol solvent having unsaturated hydrocarbon FASN, CYP2F1, FDFT1 KDM4E 3974/4885TDP1 2600/4885MAPK1 1383/4885
US-20100113763-A1 METHOD FOR PREPARATION OF ORGANOFLUORO COMPOUNDS IN ALCOHOL SOLVENTS AFF1, AFF4, PFAS KDM4E 1931/4885TDP1 2415/4885MAPK1 1832/4885

“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.