SCHEMBL5587398

SCHEMBL5587398

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
THRA P10827 5/20 0.40
THRB P10828 5/20 0.40
LMNA P02545 1/20 0.40
GLRA1 P23415 1/20 0.35
EIF4A3 P38919 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34

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 0.88 THRA (0.37) GABRA1GABRB1THRATHRBLMNA
SCHEMBL5588330 0.84 THRA (0.35) GABRA1GABRB1THRATHRBEIF4A3
SCHEMBL5586591 0.84 THRA (0.43) GABRA1GABRB1THRATHRBLDHA
SCHEMBL5588667 0.83 PKM (0.38) GABRA1GABRB1THRATHRBLMNA
SCHEMBL5588814 0.80 TSHR (0.36) THRATHRBGLRA1
SCHEMBL5588051 0.77 LDHA (0.31) LDHALDHB
SCHEMBL5586857 0.77 RXRA (0.39) THRATHRBGLRA1
SCHEMBL5588527 0.76 PTGDR2 (0.38) THRATHRB
SCHEMBL5587405 0.76 RXRA (0.40) THRATHRB
SCHEMBL5586987 0.75 GABRA1 (0.43) GABRA1GABRB1THRATHRBLMNA

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 3688/4885GABRB1 3446/4885THRA 3787/4885

“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.