SCHEMBL5589908

SCHEMBL5589908

CCCc1c(C)c(C)c(O)c(O)c1CCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
ALOX5 P09917 1/20 0.32
HSD17B3 P37058 1/20 0.32
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FASN P49327 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL5589981 0.88 HPGD (0.43) ALOX5HPGDNPC1MAPK1HTT
SCHEMBL7123817 0.84 ALOX5 (0.38) LDHALDHBALOX5HSD17B3HPGD
SCHEMBL5587747 0.81 LDHA (0.39) LDHALDHBHPGDNPC1MAPK1
SCHEMBL1760496 0.78 HPGD (0.36) LDHALDHBHPGDNPC1MAPK1
SCHEMBL17176922 0.78 LDHA (0.41) LDHALDHBALOX5HPGDNPC1
SCHEMBL10925128 0.77 FASN (0.35) LDHALDHBHSD17B3HPGDNPC1
SCHEMBL9235513 0.77 FASN (0.35) LDHALDHBALOX5HSD17B3HPGD
SCHEMBL5588357 0.77 HPGD (0.46) LDHALDHBALOX5HPGDNPC1
SCHEMBL17666984 0.75 HPGD (0.45) ALOX5HPGDNPC1MAPK1HTT
SCHEMBL27929167 0.75 HPGD (0.41) LDHALDHBALOX5HSD17B3HPGD

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 486/4885ALOX5 188/4885

“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.