SCHEMBL5589864

SCHEMBL5589864

CCCc1c(C)c(C2CCCCC2)c(C(=O)O)c(O)c1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.46
LDHB P07195 3/20 0.46
DAGLA Q9Y4D2 2/20 0.34
CNR1 P21554 6/20 0.32
CNR2 P34972 5/20 0.32
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NAAA Q02083 1/20 0.30
EPHX2 P34913 1/20 0.30
DHODH Q02127 1/20 0.30
ABCB11 O95342 1/20 0.30
ACMSD Q8TDX5 1/20 0.30

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
SCHEMBL5590693 0.93 LDHA (0.39) LDHALDHBDAGLACNR1CNR2
SCHEMBL5587330 0.90 LDHA (0.36) LDHALDHBCNR1CNR2JAK2
SCHEMBL5588974 0.89 LDHA (0.44) LDHALDHBDAGLACNR1CNR2
SCHEMBL5588260 0.86 LDHA (0.44) LDHALDHBDAGLACNR1CNR2
SCHEMBL5590702 0.86 LDHA (0.43) LDHALDHBDAGLACNR1CNR2
SCHEMBL5587695 0.83 LDHA (0.40) LDHALDHBDAGLACNR1CNR2
SCHEMBL5587266 0.81 LDHA (0.38) LDHALDHBDAGLACNR1CNR2
SCHEMBL5589149 0.81 LDHA (0.39) LDHALDHBDHODHACMSD
SCHEMBL5586964 0.80 LDHA (0.34) LDHALDHBCNR1CNR2TSHR
SCHEMBL1134719 0.77 LDHA (0.35) LDHALDHBDHODHACMSD

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 486/4885DAGLA 2997/4885

“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.