SCHEMBL1980978

SCHEMBL1980978

OCc1cc(COC2CCCCO2)c(OCc2ccccc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CREBBP Q92793 2/20 0.37
EP300 Q09472 1/20 0.37
PTGER1 P34995 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ELANE P08246 3/20 0.35
F2 P00734 1/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
SGMS2 Q8NHU3 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 0.91 CCR5 (0.40) CCR5KDM4CCREBBPPTGER1MEN1
SCHEMBL1979487 0.87 CCR5 (0.45) CCR5KDM4CPTGER1MEN1KMT2A
SCHEMBL12588848 0.82 MEN1 (0.39) KDM4CCREBBPEP300MEN1KMT2A
SCHEMBL5940792 0.78 MEN1 (0.40) CCR5KDM4CCREBBPPTGER1MEN1
SCHEMBL3469308 0.77 CFTR (0.35) CREBBPEP300
SCHEMBL1704863 0.77 L3MBTL1 (0.41) KDM4CCREBBPEP300MEN1KMT2A
SCHEMBL5940773 0.77 CCR5 (0.40) CCR5KDM4CCREBBPEP300PTGER1
SCHEMBL5940726 0.77 CCR5 (0.49) CCR5KDM4CMEN1KMT2AKDM1A
SCHEMBL5107704 0.76 KDM4C (0.43) KDM4CCREBBPEP300MEN1KMT2A
SCHEMBL4184332 0.76 KDM4C (0.47) KDM4CCREBBPEP300MEN1KMT2A

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 4325/4885KDM4C 220/4885CREBBP 4743/4885
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 4202/4885KDM4C 280/4885CREBBP 4606/4885

“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.