SCHEMBL5587050

SCHEMBL5587050

CCCCc1c(Br)c(Br)c(Br)c(O)c1OC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
ESR1 P03372 1/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR35 Q9HC97 4/20 0.31
THRA P10827 3/20 0.31
THRB P10828 3/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
MAOA P21397 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ALOX5 P09917 4/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL5589849 0.95 GPR35 (0.36) FFAR1HCAR2ESR1HPGDGPR35
SCHEMBL5590433 0.94 GPR35 (0.38) GPR35THRATHRBALOX5ALDH1A1
SCHEMBL5589385 0.94 GPR35 (0.38) GPR35THRATHRBALOX5ALDH1A1
SCHEMBL5590586 0.94 GPR35 (0.38) GPR35THRATHRBALOX5ALDH1A1
SCHEMBL5588792 0.94 GPR35 (0.38) GPR35THRATHRBALOX5ALDH1A1
SCHEMBL5588927 0.94 GPR35 (0.38) GPR35THRATHRBALOX5ALDH1A1
SCHEMBL5588343 0.92 FFAR1 (0.36) FFAR1HCAR2ESR1HPGDNPC1
SCHEMBL5590732 0.90 CA2 (0.33) CA2CA1MAOADRD4DRD3
SCHEMBL5587495 0.84 FFAR1 (0.36) FFAR1HCAR2ESR1HPGDNPC1
SCHEMBL5589177 0.83 DRD4 (0.34) HPGDMAPK1CA2CA1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 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 (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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 FFAR1 2521/4885HCAR2 3141/4885ESR1 1108/4885

“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.