SCHEMBL5056254

SCHEMBL5056254

CCC(F)C(O)C[N+](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC22A16 Q86VW1 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 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
SCHEMBL10274560 0.75
SCHEMBL890513 0.75
SCHEMBL1149412 0.74 MAPT (0.36) SLC22A16MAPTTSHR
Water SCHEMBL1358117 0.73 MAPT (0.44) SLC22A16MAPTTSHR
SCHEMBL872789 0.71 LMNA (0.32) SLC22A16MAPT
SCHEMBL14638147 0.69
SCHEMBL22714173 0.68 TSHR (0.36) SLC22A16MAPTTSHR
SCHEMBL13158755 0.67 MAPT (0.39) SLC22A16MAPTTSHR
Hydrochloric Acid SCHEMBL22721134 0.67 TSHR (0.35) SLC22A16MAPTTSHR
SCHEMBL16405718 0.67 MAPT (0.44) SLC22A16MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-6630125-B2 Use as imaging agents (for example, as positron emission tomography imaging agents); noninvasive detection and localization of neoplasms influencing choline processing in the body DUKE UNIVERSITY 2003-10-07 US disclosed
WO-2001082864-A2 18F-LABELED CHOLINE ANALOGS DUKE UNIVERSITY (US) 2001-11-08 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 (2 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-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents ADH5, ADH1C, ADH1A SLC22A16 890/4885MAPT 3439/4885TSHR 940/4885
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER TMEM14C, ADH1A, SELENOI SLC22A16 364/4885MAPT 2645/4885TSHR 33/4885

“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.