SCHEMBL5588941

SCHEMBL5588941

CCCCCCCCOc1c(C)c(C)cc(OC(=O)O)c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
PLA2G2A P14555 2/20 0.41
PLA2G5 P39877 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
S1PR5 Q9H228 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5590437 1.00 ESR1 (0.45) ESR1THRATHRBPLA2G2APLA2G5
SCHEMBL5587142 1.00 ESR1 (0.45) ESR1THRATHRBPLA2G2APLA2G5
SCHEMBL5588895 1.00 ESR1 (0.45) ESR1THRATHRBPLA2G2APLA2G5
SCHEMBL5588917 0.99 ESR1 (0.43) ESR1THRATHRBPLA2G2APLA2G5
SCHEMBL5587789 0.90 PPARG (0.37) ESR1TP53
SCHEMBL5590488 0.84 TSHR (0.38) THRBTSHR
SCHEMBL5589982 0.83 THRA (0.45) ESR1THRATHRBPLA2G2AAKR1C4
SCHEMBL5589799 0.83 ESR1 (0.43) ESR1THRATHRBPLA2G2AAKR1C4
SCHEMBL5589143 0.83 THRA (0.45) ESR1THRATHRBPLA2G2AAKR1C4
SCHEMBL5590501 0.83 THRA (0.45) ESR1THRATHRBPLA2G2AAKR1C4

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 ESR1 1108/4885THRA 3787/4885THRB 3757/4885

“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.