SCHEMBL5587450

SCHEMBL5587450

CCCCCCCOc1c(O)c(O)c(C(=O)O)c(CCC)c1OCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
PLA2G2A P14555 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
PLA2G4B P0C869 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
RARB P10826 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5590025 1.00 LDHA (0.43) LDHALDHBPLA2G2ATP53TSHR
SCHEMBL5587939 1.00 LDHA (0.43) LDHALDHBPLA2G2ATP53TSHR
SCHEMBL5586545 1.00 LDHA (0.43) LDHALDHBPLA2G2ATP53TSHR
SCHEMBL5588115 1.00 LDHA (0.43) LDHALDHBPLA2G2ATP53TSHR
SCHEMBL5589067 0.94 BID (0.43) PLA2G2ATP53TSHRTHRATHRB
SCHEMBL5586986 0.94 BID (0.43) PLA2G2ATP53TSHRTHRATHRB
SCHEMBL5587602 0.94 BID (0.43) PLA2G2ATP53TSHRTHRATHRB
SCHEMBL5590444 0.94 BID (0.43) PLA2G2ATP53TSHRTHRATHRB
SCHEMBL5588423 0.94 BID (0.43) PLA2G2ATP53TSHRTHRATHRB
SCHEMBL5590577 0.94 PLA2G2A (0.43) PLA2G2ATP53TSHRTHRATHRB

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 486/4885PLA2G2A 4233/4885

“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.