SCHEMBL5589451

SCHEMBL5589451

CCCCCc1ccc(OC(=O)O)c(O)c1OCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
PPARA Q07869 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
PPARG P37231 1/20 0.40
TYR P14679 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39

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
SCHEMBL5588006 0.99 TSHR (0.45) TSHRPPARAPPARGTYRCNR1
SCHEMBL5590766 0.99 TSHR (0.45) TSHRPPARAPPARGTYRCNR1
SCHEMBL5589003 0.99 TSHR (0.45) TSHRPPARAPPARGTYRCNR1
SCHEMBL5589688 0.99 TSHR (0.45) TSHRPPARAPPARGTYRCNR1
SCHEMBL5588887 0.99 TSHR (0.45) TSHRPPARAPPARGTYRCNR1
SCHEMBL5590027 0.97 TSHR (0.43) TSHRPPARAALOX5PTGS2PPARG
SCHEMBL5589671 0.96 TSHR (0.45) TSHRPPARAPPARGCNR1CNR2
SCHEMBL5587655 0.96 TSHR (0.45) TSHRPPARAPPARGCNR1CNR2
SCHEMBL5590067 0.96 TSHR (0.45) TSHRPPARAPPARGCNR1CNR2
SCHEMBL5590012 0.96 TSHR (0.45) TSHRPPARAPPARGCNR1CNR2

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 TSHR 4680/4885PPARA 2921/4885ALOX5 188/4885

“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.