SCHEMBL5586591

SCHEMBL5586591

CC(C)c1cc(Br)c(C(C)C)c(O)c1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.43
THRB P10828 8/20 0.43
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 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
SCHEMBL5587174 0.85 THRA (0.37) THRATHRBGABRA1GABRB1LDHA
SCHEMBL5587398 0.84 GABRA1 (0.40) THRATHRBGABRA1GABRB1LDHA
SCHEMBL5588330 0.81 THRA (0.35) THRATHRBGABRA1GABRB1LDHA
SCHEMBL5588667 0.80 PKM (0.38) THRATHRBGABRA1GABRB1CA1
SCHEMBL5588814 0.78 TSHR (0.36) THRATHRB
SCHEMBL5587205 0.75 THRA (0.33) THRATHRBLDHALDHB
SCHEMBL5586857 0.75 RXRA (0.39) THRATHRB
SCHEMBL5587079 0.74 GABRA1 (0.56) THRATHRBGABRA1GABRB1LDHA
SCHEMBL5587405 0.74 RXRA (0.40) THRATHRB
SCHEMBL5588527 0.74 PTGDR2 (0.38) THRATHRB

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 THRA 3787/4885THRB 3757/4885GABRA1 3688/4885

“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.