SCHEMBL5589142

SCHEMBL5589142

O=C(O)Oc1cccc(C(Br)Br)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
MEN1 O00255 1/20 0.33
JAK2 O60674 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SERPINE1 P05121 1/20 0.33
HPGD P15428 4/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CYP1A2 P05177 2/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL5589726 0.82 CYP2D6 (0.34) CYP2D6CYP2C19HSD17B10NPSR1KMT2A
SCHEMBL5586918 0.82 CYP2D6 (0.34) CYP2D6CYP2C19HSD17B10NPSR1KMT2A
SCHEMBL5590668 0.82 CYP2D6 (0.34) CYP2D6CYP2C19HSD17B10NPSR1KMT2A
SCHEMBL8013103 0.80 CA12 (0.41) HSD17B10NPSR1KMT2AMAPTALOX15
SCHEMBL5587828 0.79 CYP2D6 (0.38) CYP2D6CYP2C19HSD17B10NPSR1KMT2A
SCHEMBL1462600 0.77 HSD17B10 (0.52) HSD17B10NPSR1KMT2AMAPTALOX15
SCHEMBL5590744 0.76 L3MBTL1 (0.38) CYP2D6CYP2C19NPSR1KMT2AMEN1
SCHEMBL5682698 0.75 HNF4A (0.38) HSD17B10NPSR1KMT2AMAPTALOX15
SCHEMBL5589846 0.75 GABRA1 (0.38) KMT2AMAPTGAASMN1; SMN2GABRA1
SCHEMBL5588374 0.74 KMT2A (0.35) CYP2D6CYP2C19NPSR1KMT2AMEN1

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 CYP2D6 1324/4885CYP2C19 3676/4885HSD17B10 1640/4885

“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.