SCHEMBL5587623

SCHEMBL5587623

CCCCCCOc1c(C)c(C)c(C)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.46
ESR1 P03372 3/20 0.41
TLR4 O00206 3/20 0.41
PSEN1 P49768 3/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
PLA2G5 P39877 1/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
TYR P14679 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL5586826 1.00 NR5A1 (0.46) NR5A1ESR1TLR4PSEN1THRA
SCHEMBL5589247 1.00 NR5A1 (0.46) NR5A1ESR1TLR4PSEN1THRA
SCHEMBL5588645 1.00 NR5A1 (0.46) NR5A1ESR1TLR4PSEN1THRA
SCHEMBL5588635 1.00 NR5A1 (0.46) NR5A1ESR1TLR4PSEN1THRA
SCHEMBL5587840 0.98 NR5A1 (0.43) NR5A1ESR1TLR4PSEN1THRA
SCHEMBL5589188 0.92 LTA4H (0.40) NR5A1ESR1TLR4PSEN1THRA
SCHEMBL5588588 0.85 LTA4H (0.40) NR5A1ESR1TLR4PSEN1THRA
SCHEMBL5590231 0.84 LTA4H (0.34) TLR4LTA4H
SCHEMBL5589795 0.80 PSEN1 (0.46) ESR1PSEN1THRATHRBPLA2G2A
SCHEMBL5588934 0.80 PSEN1 (0.46) ESR1PSEN1THRATHRBPLA2G2A

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 NR5A1 2413/4885ESR1 1108/4885TLR4 108/4885

“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.