SCHEMBL1979487

SCHEMBL1979487

Fc1cc(OCc2ccccc2)c(COC2CCCCO2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.45
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM1A O60341 7/20 0.39
PKM P14618 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 2/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGER1 P34995 1/20 0.35

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
SCHEMBL14735919 0.88 CCR5 (0.40) CCR5MEN1KMT2AKDM1APKM
SCHEMBL1980978 0.87 CCR5 (0.38) CCR5MEN1KMT2AKDM1AKDM4C
SCHEMBL12588847 0.82 MEN1 (0.37) MEN1KMT2AKDM4CLMNAL3MBTL1
SCHEMBL2280860 0.79 HRH3 (0.43) CCR5MEN1KMT2AKDM4CHPGD
SCHEMBL5940726 0.79 CCR5 (0.49) CCR5MEN1KMT2AKDM1APKM
SCHEMBL23287046 0.77 L3MBTL1 (0.36) MEN1KMT2AKDM4CLMNAL3MBTL1
SCHEMBL20512500 0.77 L3MBTL1 (0.36) MEN1KMT2AKDM4CLMNAL3MBTL1
SCHEMBL30568895 0.77 L3MBTL1 (0.36) MEN1KMT2AKDM4CLMNAL3MBTL1
SCHEMBL4184332 0.76 KDM4C (0.47) MEN1KMT2AKDM4C
SCHEMBL5940792 0.76 MEN1 (0.40) CCR5MEN1KMT2AKDM4CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336114-B1 PROCESS FOR THE SYNTHESIS OF L-3,4 DIHYDROXY-6-[18F]FLUORO-PHENYLALANINE AND 2-[18F]FLUOR-L-TYROSINE AND THEIR ALPHA-METHYLATED DERIVATIVES STARTING FROM A PRECURSOR FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2013-04-17 EP disclosed
US-20130060063-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES FROM THE PRECURSOR WAGNER FRANZISKA (DE) 2013-03-07 US disclosed
EP-2220049-B1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA -METHYLATED DERIVATIVES THEREOF, AND THE PRECURSORS FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2011-08-10 EP disclosed
EP-2336114-A1 Process for the synthesis of L-3,4 dihydroxy-6-[18F]fluoro-phenylalanine and 2-[18F]Fluor-L-tyrosine and their alpha-methylated derivatives starting from a precursor Forschungszentrum Jülich GmbH (DE) 2011-06-22 EP disclosed
US-20100261913-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6- [18F] FLUOROPHENYL ALAINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3, 4DIHYDROXY-6- [18F] FLUOROPHENYLALANINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2010-10-14 US disclosed
EP-2220049-A2 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA -METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4 DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR Forschungszentrum Jülich GmbH (DE) 2010-08-25 EP disclosed
WO-2009071049-A2 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE α-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4 DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE α-METHYLATED DERIVATIVES FROM THE PRECURSOR Forschungszentrum Jülich GmbH (DE) 2009-06-11 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-20100261913-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6- [18F] FLUOROPHENYL ALAINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3, 4DIHYDROXY-6- [18F] FLUOROPHENYLALANINE AND 2- [18F] FLUORO-L-TYROSINE AND THE ALPHA-METHYLATED DERIVATIVES FROM THE PRECURSOR TH, DAO, FTO CCR5 4325/4885MEN1 1866/4885KMT2A 116/4885
US-20130060063-A1 METHOD FOR PRODUCING PRECURSORS FOR L-3,4-DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES THEREOF, PRECURSOR, AND METHOD FOR PRODUCING L-3,4DIHYDROXY-6-[18F]FLUOROPHENYLALANINE AND 2-[18F]FLUORO-L-TYROSINE AND THE A-METHYLATED DERIVATIVES FROM THE PRECURSOR TH, FTO, PAH CCR5 4202/4885MEN1 2290/4885KMT2A 106/4885

“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.