SCHEMBL5589983

SCHEMBL5589983

CCCCOc1c(O)c(C(=O)O)c(C)c(C)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SLC37A4 O43826 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4B P0C869 2/20 0.37
FFAR1 O14842 1/20 0.37
ESR1 P03372 1/20 0.37
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
RARB P10826 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 1/20 0.35

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
SCHEMBL5588600 0.84 TP53 (0.43) THRATHRBTP53TSHRPLA2G4B
SCHEMBL5589055 0.84 LDHA (0.38) LDHALDHBTHRATHRBSLC37A4
SCHEMBL5588361 0.84 LDHA (0.43) LDHALDHBTHRATHRBTP53
SCHEMBL5588500 0.84 LDHA (0.38) LDHALDHBTHRATHRBSLC37A4
SCHEMBL6762350 0.84 LDHA (0.42) LDHALDHBTHRATHRBSLC37A4
SCHEMBL5588971 0.84 LDHA (0.42) LDHALDHBTHRATHRBSLC37A4
SCHEMBL5588403 0.83 THRA (0.41) LDHALDHBTHRATHRBTP53
SCHEMBL5589580 0.83 TP53 (0.46) THRATHRBTP53TSHRPLA2G4B
SCHEMBL5590197 0.83 TP53 (0.46) THRATHRBTP53TSHRPLA2G4B
SCHEMBL5590516 0.81 LDHA (0.42) LDHALDHBTHRATHRBSLC37A4

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 LDHA 320/4885LDHB 486/4885THRA 3787/4885

“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.