SCHEMBL150581

SCHEMBL150581

C=C(C)C(=O)OCC(NC)NC

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.42
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL27398964 0.83 TSHR (0.61) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL4399857 0.82 TSHR (0.64) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL28874573 0.82 TSHR (0.59) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL12803643 0.80 TSHR (0.62) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2504502 0.80 TSHR (0.57) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2003087 0.80 TSHR (0.57) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL26031177 0.79 TSHR (0.55) TSHRALDH1A1THRB
SCHEMBL2517022 0.79 TSHR (0.55) TSHRALDH1A1THRBMGAMGAA
SCHEMBL147268 0.78 TSHR (0.71) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL8886282 0.77 TSHR (0.53) TSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004033-B1 METHOD FOR PURIFICATION OF 18F-LABELED CHOLINE ANALOGUES TRASIS S A (BE) 2019-05-08 EP claimed
US-9839702-B2 Method for purification of 18F-labeled choline analogues TRASIS S.A. (BE) 2017-12-12 US claimed
EP-2148836-B1 METHOD FOR THE PREPARATION OF REACTIVE [18]F FLUORIDE TRASIS S A (BE) 2017-10-25 EP claimed
US-20160129139-A1 Method for Purification of 18F-Labeled Choline Analogues TRASIS S.A. (BE) 2016-05-12 US claimed
EP-3004033-A1 METHOD FOR PURIFICATION OF 18F-LABELED CHOLINE ANALOGUES Trasis S.A. (BE) 2016-04-13 EP claimed
US-9284188-B2 Cytosolic delivery of materials with endosome-disrupting colloids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-15 US claimed
EP-2845608-A1 Method for purification of 18F-labeled choline analogues Trasis S.A. (BE) 2015-03-11 EP claimed
WO-2014195249-A1 METHOD FOR PURIFICATION OF 18F-LABELED CHOLINE ANALOGUES TRASIS S.A. (BE) 2014-12-11 WO claimed
US-8641903-B2 Method for the preparation of reactive [18] F fluoride TRASIS S.A. (BE) 2014-02-04 US claimed
US-20120058505-A1 Cytosolic Delivery of Materials with Endosome-Disrupting Colloids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-08 US claimed
US-20100243972-A1 METHOD FOR THE PREPARATION OF REACTIVE [18] F FLUORIDE TRASIS S.A. (BE) 2010-09-30 US claimed
WO-2026102309-A1 SELECTIVE RADIOTRACERS AND METHODS OF USE LUTROO IMAGING, LLC (US) 2026-05-15 WO disclosed
EP-4121121-A1 RADIONUCLIDE TRACERS OF 1-AMINO-3,4-DIFLUOROCYCLOPENTANE-1-CARBOXYLIC ACID, DERIVATIVES, AND USES THEREOF Emory University (US) 2023-01-25 EP disclosed
CN-109791353-A Photosensitive polymer combination and photoresist printing plate precursor comprising it 东丽株式会社 2019-05-21 CN disclosed
EP-3004033-B1 METHOD FOR PURIFICATION OF 18F-LABELED CHOLINE ANALOGUES TRASIS S A (BE) 2019-05-08 EP disclosed
EP-1572154-A2 MEDICAL DEVICES EMPLOYING NOVEL POLYMERS Polymerix Corporation (US) 2005-09-14 EP disclosed
WO-2005042600-A2 HIGH MOLECULAR WEIGHT POLYMERS, DEVICES AND METHOD FOR MAKING AND USING SAME POLYMERIX CORPORATION (US) 2005-05-12 WO disclosed
WO-2005039489-A2 COMPOSITIONS AND METHODS FOR THE INHIBITION OF BONE GROWTH AND RESORPTION POLYMERIX CORPORATION (US) 2005-05-06 WO disclosed
US-20050048121-A1 Sustained release; acylation, dehydration a diacid in presence of nonaqueous solvent POLYMERIX CORPORATION (US) 2005-03-03 US disclosed
WO-2004045549-A2 MEDICAL DEVICES EMPLOYING NOVEL POLYMERS POLYMERIX CORPORATION (US) 2004-06-03 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-20050048121-A1 Sustained release; acylation, dehydration a diacid in presence of nonaqueous solvent ACMSD, CCND1, SMCHD1 TSHR 4219/4885ALDH1A1 1272/4885THRB 3598/4885
US-20160129139-A1 Method for Purification of 18F-Labeled Choline Analogues SLC5A7, CHAT, CHKA TSHR 1161/4885ALDH1A1 2903/4885THRB 2030/4885

“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.