SCHEMBL5589907

SCHEMBL5589907

CCCCOOc1cc(CC(C)C)c(OC(=O)O)c(O)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ESR1 P03372 5/20 0.32
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
ALOX15 P16050 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
SCHEMBL5587273 0.91 LTB4R (0.37) LTB4RLTB4R2ESR1PPARG
SCHEMBL5588610 0.84 LTB4R (0.35) LTB4RLTB4R2PPARG
SCHEMBL5589905 0.82 GABRA1 (0.34) LTB4RLTB4R2ESR1
SCHEMBL5587934 0.82 ALOX5 (0.36) ESR1PPARGPPARDPPARA
SCHEMBL5590456 0.82 TSHR (0.33)
SCHEMBL5588205 0.81 TAAR1 (0.38)
SCHEMBL5589058 0.76 THRA (0.37) ESR1PPARGPPARA
SCHEMBL5588371 0.75 GABRA1 (0.34)
SCHEMBL5588613 0.75 GABRA1 (0.34) LTB4RLTB4R2ALOX15
SCHEMBL5587608 0.75 AKR1C2 (0.36) ALOX15

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 2 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
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 LTB4R 54/4885LTB4R2 69/4885ESR1 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.