SCHEMBL14735919

SCHEMBL14735919

Fc1cc(OCc2ccccc2)c(COC2CCCCO2)cc1CBr

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
KDM1A O60341 7/20 0.36
L3MBTL1 Q9Y468 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
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
PTGER1 P34995 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
CREBBP Q92793 1/20 0.34
NAAA Q02083 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
SCHEMBL1980978 0.91 CCR5 (0.38) CCR5KDM4CKDM1AL3MBTL1HTR1A
SCHEMBL1979487 0.88 CCR5 (0.45) CCR5KDM4CKDM1AL3MBTL1HTR1A
SCHEMBL12589242 0.82 MEN1 (0.36) KDM4CL3MBTL1MEN1KMT2ACREBBP
SCHEMBL1705151 0.76 L3MBTL1 (0.38) KDM4CL3MBTL1SLC6A4MEN1KMT2A
SCHEMBL5940726 0.76 CCR5 (0.49) CCR5KDM4CKDM1ASLC6A4MEN1
SCHEMBL13490826 0.75 KDM4C (0.43) KDM4CL3MBTL1MEN1KMT2ACREBBP
SCHEMBL4184332 0.75 KDM4C (0.47) KDM4CMEN1KMT2ACREBBP
SCHEMBL5940792 0.75 MEN1 (0.40) CCR5KDM4CL3MBTL1HTR1ASLC6A2
SCHEMBL3469308 0.75 CFTR (0.35) CREBBP
SCHEMBL2280860 0.74 HRH3 (0.43) CCR5KDM4CMEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 280/4885KDM1A 284/4885

“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.