SCHEMBL3047800

SCHEMBL3047800

Cc1c(F)c(Br)cc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
PTGER1 P34995 1/20 0.45
FOLH1 Q04609 1/20 0.45
BRD4 O60885 1/20 0.44
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
DHODH Q02127 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL28035507 0.80 THRA (0.55) THRATHRBSMN1; SMN2PTGER1FOLH1
SCHEMBL31535215 0.79 THRA (0.50) THRATHRBFOLH1BRD4DHODH
SCHEMBL14856441 0.78 MAPT (0.55) SMN1; SMN2PTGER1FOLH1PTPN1LMNA
SCHEMBL15726040 0.77 PTGER1 (0.57) SMN1; SMN2PTGER1FOLH1PTPN1LMNA
SCHEMBL25877912 0.77 PTGER1 (0.48) PTGER1FOLH1BRD4PTPN1LMNA
SCHEMBL4046366 0.77 THRA (0.48) THRATHRBPTGER1FOLH1HPGD
SCHEMBL591616 0.77 FOLH1 (0.55) SMN1; SMN2PTGER1FOLH1
SCHEMBL3708459 0.76 THRA (0.53) THRATHRBSMN1; SMN2PTGER1FOLH1
SCHEMBL5839199 0.75 FOLH1 (0.56) THRATHRBSMN1; SMN2PTGER1FOLH1
SCHEMBL30141095 0.75 FOLH1 (0.52) PTGER1FOLH1MRGPRX4CTSVCTSL

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 2 patents. 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
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

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 THRA 405/4885THRB 341/4885SMN1; SMN2 4145/4885
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 THRA 491/4885THRB 392/4885SMN1; SMN2 4096/4885

“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.