SCHEMBL2816459

SCHEMBL2816459

C/C(=C\CC/C=C(\C)C(=O)O)C(=O)O.C/C(=C\CC1CO1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.40
ALDH1A1 P00352 1/20 0.37
PPARG P37231 2/20 0.35
ALOX5 P09917 2/20 0.30
GRIK2 Q13002 1/20 0.30
NR1I2 O75469 1/20 0.30
PPARA Q07869 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL30609972 0.94 ALDH1A1 (0.40) CD81ALDH1A1PPARGGRIK2TP53
SCHEMBL20082 0.94 ALDH1A1 (0.40) CD81ALDH1A1PPARGGRIK2TP53
SCHEMBL28302 0.94 ALDH1A1 (0.40) CD81ALDH1A1PPARGGRIK2TP53
SCHEMBL5179069 0.94 ALDH1A1 (0.40) CD81ALDH1A1PPARGGRIK2TP53
SCHEMBL29640472 0.94 ALDH1A1 (0.40) CD81ALDH1A1PPARGGRIK2TP53
Bicarbonate SCHEMBL20401648 0.92 ALDH1A1 (0.39) CD81ALDH1A1PPARGGRIK2TP53
Ethylene SCHEMBL4370792 0.91 ALDH1A1 (0.42) CD81ALDH1A1PPARGGRIK2TP53
SCHEMBL8512429 0.89 ALDH1A1 (0.37) CD81ALDH1A1PPARGGRIK2TP53
Alcohol SCHEMBL28952323 0.89 ALDH1A1 (0.37) CD81ALDH1A1PPARGGRIK2TP53
SCHEMBL29832859 0.89 ALDH1A1 (0.37) CD81ALDH1A1PPARGGRIK2TP53

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 33 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
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-20100243972-A1 METHOD FOR THE PREPARATION OF REACTIVE [18] F FLUORIDE TRASIS S.A. (BE) 2010-09-30 US claimed
EP-2148836-A1 METHOD FOR THE PREPARATION OF REACTIVE Ý18¨F FLUORIDE Universite de Liege (BE) 2010-02-03 EP claimed
WO-2008128306-A1 METHOD FOR THE PREPARATION OF REACTIVE [18] F FLUORIDE TRASIS S.A. (BE) 2008-10-30 WO claimed
WO-2024035925-A2 N-CYCLOPROPYL-1-(4-(4-(FLUORO-18F)PHENYL)PYRIMIDIN-5-YL)-N-METHYLPIPERIDINE-4-CARBOXAMIDE AND USES IN PET IMAGING EMORY UNIVERSITY (US) 2024-02-15 WO disclosed
US-20230158178-A1 Radionuclide Tracers of 1-Amino-3,4-Difluorocyclopentane-1-Carboxylic Acid, Derivatives, and Uses Thereof UNIV EMORY (US) 2023-05-25 US 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
US-11384106-B2 Metal tricarbonyl complexes comprising substituted iminodiactic acid ligands and uses as radioisotope tracers EMORY UNIVERSITY (US) 2022-07-12 US disclosed
WO-2014195249-A1 METHOD FOR PURIFICATION OF 18F-LABELED CHOLINE ANALOGUES TRASIS S.A. (BE) 2014-12-11 WO disclosed
US-8641903-B2 Method for the preparation of reactive [18] F fluoride TRASIS S.A. (BE) 2014-02-04 US disclosed
US-20100243972-A1 METHOD FOR THE PREPARATION OF REACTIVE [18] F FLUORIDE TRASIS S.A. (BE) 2010-09-30 US disclosed
EP-2148836-A1 METHOD FOR THE PREPARATION OF REACTIVE Ý18¨F FLUORIDE Universite de Liege (BE) 2010-02-03 EP disclosed
WO-2008128306-A1 METHOD FOR THE PREPARATION OF REACTIVE [18] F FLUORIDE TRASIS S.A. (BE) 2008-10-30 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 (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-20160129139-A1 Method for Purification of 18F-Labeled Choline Analogues SLC5A7, CHAT, CHKA CD81 3031/4885ALDH1A1 2903/4885PPARG 3076/4885
US-20230158178-A1 Radionuclide Tracers of 1-Amino-3,4-Difluorocyclopentane-1-Carboxylic Acid, Derivatives, and Uses Thereof AFF1, METTL3, VHL CD81 356/4885ALDH1A1 243/4885PPARG 989/4885
US-11384106-B2 Metal tricarbonyl complexes comprising substituted iminodiactic acid ligands and uses as radioisotope tracers SLC16A8, S100A8, FGF23 CD81 1226/4885ALDH1A1 1595/4885PPARG 1992/4885

“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.