SCHEMBL1149412

SCHEMBL1149412

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SLC22A16 Q86VW1 1/20 0.36
TSHR P16473 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 1/20 0.34
LMNA P02545 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13158755 0.77 MAPT (0.39) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL5056254 0.74 SLC22A16 (0.33) MAPTSLC22A16TSHR
SCHEMBL873955 0.74 MAPT (0.33) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL14638147 0.73
SCHEMBL3686616 0.72 MAPT (0.36) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL3696754 0.72 MAPT (0.36) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL872038 0.70 SLC22A16 (0.31) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL193840 0.69
SCHEMBL9748670 0.69
SCHEMBL9748138 0.69

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 36 patents — showing the first 20. 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
WO-2006082108-A2 IMAGING METHOD AND COMPOSITION FOR IMAGING VASCULAR DISEASES SCHERING AG (DE) 2006-08-10 WO claimed
CN-118108800-A Double-target probe of PSMA and GPC3, preparation method and application 华中科技大学同济医学院附属同济医院 2024-05-31 CN disclosed
EP-3641772-B1 TREATMENT OF HEPATOCELLULAR CARCINOMA CHARACTERIZED BY HEPATITIS B VIRUS INFECTION CELGENE CORP (US) 2023-08-02 EP disclosed
US-20220175770-A1 TREATMENT OF HEPATOCELLULAR CARCINOMA CHARACTERIZED BY HEPATITIS B VIRUS INFECTION CELGENE CORP (US) 2022-06-09 US disclosed
CN-108699087-B 18/19F labeled compounds targeting prostate specific membrane antigen 不列颠哥伦比亚癌症局分支机构 2022-05-17 CN disclosed
EP-3765097-A1 2-ALKOXY-6-[18F]FLUORONICOTINOYL SUBSTITUTED LYS-C(O)-GLU DERIVATIVES AS EFFICIENT PROBES FOR IMAGING OF PSMA EXPRESSING TISSUES Universität zu Köln (DE) 2021-01-20 EP disclosed
US-10639608-B2 System, device and method for preparing tracers and transferring materials during radiosynthesis SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2020-05-05 US disclosed
EP-3641772-A1 TREATMENT OF HEPATOCELLULAR CARCINOMA CHARACTERIZED BY HEPATITIS B VIRUS INFECTION Celgene Corporation (US) 2020-04-29 EP disclosed
US-20200121676-A1 TREATMENT OF HEPATOCELLULAR CARCINOMA CHARACTERIZED BY HEPATITIS B VIRUS INFECTION CELGENE CORP (US) 2020-04-23 US disclosed
US-20080171863-A1 Method for Preparing of Organofluoro Compounds in Alcohol Solvents FUTURECHEM CO., LTD. (KR) 2008-07-17 US disclosed
EP-1667794-A2 SYSTEM AND METHOD FOR SYNTHESIS OF MOLECULAR IMAGING PROBES INCLUDING FDG Molecular Technologies Inc. (US) 2006-06-14 EP disclosed
EP-1660433-A2 PREPARATION AND USE OF ALKYLATING AGENTS The Queen's Medical Center (US) 2006-05-31 EP disclosed
US-20050123475-A1 Preparation and use of alkylating agents THE QUEEN'S MEDICAL CENTER 2005-06-09 US disclosed
WO-2005009928-A2 PREPARATION AND USE OF ALKYLATING AGENTS THE QUEEN'S MEDICAL CENTER (US) 2005-02-03 WO disclosed
US-20040258615-A1 System and method for synthesis of molecular imaging probes including FDG MOLECULAR TECHNOLOGIES, INC. 2004-12-23 US disclosed
WO-2004093652-A2 SYSTEM AND METHOD FOR SYNTHESIS OF MOLECULAR IMAGING PROBES INCLUDING FDG MOLECULAR TECHNOLOGIES, INC. (US) 2004-11-04 WO 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 (6 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 MAPT 3439/4885SLC22A16 890/4885TSHR 940/4885
US-20050123475-A1 Preparation and use of alkylating agents MGMT, MCL1, TOP2A MAPT 4689/4885SLC22A16 3432/4885TSHR 3094/4885
US-20220175770-A1 TREATMENT OF HEPATOCELLULAR CARCINOMA CHARACTERIZED BY HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, SLC10A1 MAPT 231/4885SLC22A16 645/4885TSHR 2325/4885
US-20150367005-A1 METHOD OF SYNTHESIZING FLUORINE-18 LABELED RADIOPHARMACEUTICALS IN ETHANOL AND WATER TMEM14C, ADH1A, SELENOI MAPT 2645/4885SLC22A16 364/4885TSHR 33/4885
US-10639608-B2 System, device and method for preparing tracers and transferring materials during radiosynthesis TERT, VHL, REV1 MAPT 3700/4885SLC22A16 400/4885TSHR 308/4885
US-20200121676-A1 TREATMENT OF HEPATOCELLULAR CARCINOMA CHARACTERIZED BY HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, SLC10A1 MAPT 231/4885SLC22A16 645/4885TSHR 2325/4885

“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.