SCHEMBL5588042

SCHEMBL5588042

CC(C)Cc1cc(CC(C)C)c(Br)c(OC(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
PTPN1 P18031 4/20 0.36
ALOX15 P16050 3/20 0.34
ALOX12 P18054 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PRKCE Q02156 1/20 0.33
THRA P10827 3/20 0.33
THRB P10828 3/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL5588410 0.83 GABRA1 (0.36) GABRA1GABRB2ALOX15ALOX12THRA
SCHEMBL5589644 0.83 GABRA1 (0.36) GABRA1GABRB2ALOX15ALOX12THRB
SCHEMBL5587188 0.79 GABRA1 (0.48) GABRA1GABRB2HSP90AA1HSP90AB1
SCHEMBL5589457 0.79 ALOX12 (0.38) GABRA1GABRB2ALOX15ALOX12
SCHEMBL5587156 0.78 ALOX15 (0.35) GABRA1GABRB2PTPN1ALOX15ALOX12
SCHEMBL5588395 0.76 ALOX5 (0.37) GABRA1GABRB2THRATHRB
SCHEMBL5588613 0.75 GABRA1 (0.34) GABRA1GABRB2ALOX15PRKCETHRB
SCHEMBL5589548 0.74 CA2 (0.33) CA2
SCHEMBL5588039 0.74 GABRA1 (0.48) GABRA1GABRB2PTPN1ALOX15ALOX12
SCHEMBL5588288 0.72 GABRA1 (0.44) GABRA1GABRB2ALOX15

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 3 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

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 GABRA1 3688/4885GABRB2 3686/4885PTPN1 4679/4885

“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.