SCHEMBL5590409

SCHEMBL5590409

CCCCc1c(I)cc(OC(=O)O)c(O)c1CCCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.40
ALOX5 P09917 5/20 0.39
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
FFAR1 O14842 1/20 0.34
EYA3 Q99504 1/20 0.34
TP53 P04637 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SMPD3 Q9NY59 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33

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
SCHEMBL5586903 0.96 ALOX5 (0.44) ESR1ALOX5HCAR3HCAR2TRPV1
SCHEMBL5587871 0.94 ALOX5 (0.47) ESR1ALOX5HCAR2TRPV1
SCHEMBL5589221 0.94 ALOX5 (0.47) ESR1ALOX5HCAR2TRPV1
SCHEMBL5587810 0.94 ALOX5 (0.47) ESR1ALOX5HCAR2TRPV1
SCHEMBL5588285 0.94 ALOX5 (0.47) ESR1ALOX5HCAR2TRPV1
SCHEMBL5589948 0.94 ALOX5 (0.47) ESR1ALOX5HCAR2TRPV1
SCHEMBL5587186 0.91 LDHA (0.37) ESR1ALOX5TDP1HCAR2TP53
SCHEMBL5588666 0.85 ALOX5 (0.39) ESR1ALOX5NPC1HPGDMAPK1
SCHEMBL5677838 0.85 ALOX5 (0.41) ESR1ALOX5NPC1HPGDMAPK1
SCHEMBL5587475 0.84 ALOX5 (0.43) ESR1ALOX5NPC1HPGDMAPK1

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 ESR1 1108/4885ALOX5 188/4885NPC1 3851/4885

“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.