SCHEMBL5050871

SCHEMBL5050871

CN1[C@@H]2CCC[C@@]1(C(=O)OCCCCF)CC2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.31
SLC6A3 Q01959 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
SCHEMBL29551242 1.00 SIGMAR1 (0.31) SIGMAR1SLC6A3
SCHEMBL1268064 0.80 POLB (0.38)
SCHEMBL7458948 0.75 NPSR1 (0.34)
SCHEMBL15758249 0.73 SLC6A9 (0.30)
SCHEMBL19209345 0.69 CYP1A2 (0.32)
SCHEMBL20221547 0.68 NPSR1 (0.34)
SCHEMBL30069183 0.68 CHRM2 (0.36)
SCHEMBL19209218 0.66 FFAR3 (0.33)
SCHEMBL10002507 0.65 POLB (0.33)
SCHEMBL19209381 0.64 CHRM2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-24 US claimed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 US claimed
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
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
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-111574515-A Preparation method and purification method of organic fluorinated aliphatic compound 财团法人峨山社会福祉财团 2020-08-25 CN disclosed
US-20170319720-A1 METHOD FOR PREPARING ORGANIC FLUORIDE-ALIPHATIC COMPOUND AND METHOD FOR PURIFYING ORGANIC FLUORIDE-ALIPHATIC COMPOUND Ackerman, Christopher (PR) 2017-11-09 US disclosed
EP-3216780-A1 METHOD FOR PREPARING ORGANIC FLUORIDE-ALIPHATIC COMPOUND AND METHOD FOR PURIFYING ORGANIC FLUORIDE-ALIPHATIC COMPOUND The Asan Foundation (KR) 2017-09-13 EP disclosed
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-24 US disclosed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 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 (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-20170319720-A1 METHOD FOR PREPARING ORGANIC FLUORIDE-ALIPHATIC COMPOUND AND METHOD FOR PURIFYING ORGANIC FLUORIDE-ALIPHATIC COMPOUND AFF1, OSBP, GBA1 SIGMAR1 1225/4885SLC6A3 3847/4885
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents ADH5, ADH1C, ADH1A SIGMAR1 328/4885SLC6A3 436/4885
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER TMEM14C, ADH1A, SELENOI SIGMAR1 64/4885SLC6A3 91/4885

“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.