SCHEMBL5589573

SCHEMBL5589573

CCCCCCCOc1c(C)c(OC(=O)O)c(O)c(OCCCCCCC)c1OCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
ESR1 P03372 2/20 0.41
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
PSEN1 P49768 3/20 0.40
PLA2G4B P0C869 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
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
SCHEMBL5587027 1.00 THRA (0.43) THRATHRBESR1PLA2G2ATP53
SCHEMBL5589373 1.00 THRA (0.43) THRATHRBESR1PLA2G2ATP53
SCHEMBL5586806 1.00 THRA (0.43) THRATHRBESR1PLA2G2ATP53
SCHEMBL5589546 0.98 THRA (0.41) THRATHRBESR1PLA2G2ATP53
SCHEMBL5590439 0.95 THRA (0.43) THRATHRBESR1PLA2G2ATP53
SCHEMBL5587732 0.95 THRA (0.43) THRATHRBESR1PLA2G2ATP53
SCHEMBL5589972 0.94 THRA (0.40) THRATHRBESR1TP53TSHR
SCHEMBL5589793 0.94 THRA (0.42) THRATHRBESR1PLA2G2ATP53
SCHEMBL5588299 0.88 THRA (0.43) THRATHRBESR1PLA2G2ATP53
SCHEMBL5588317 0.88 THRA (0.43) THRATHRBESR1PLA2G2ATP53

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 THRA 3787/4885THRB 3757/4885ESR1 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.