SCHEMBL5587431

SCHEMBL5587431

CCCCCc1c(O)c(O)c([N+](=O)[O-])c(CCCCC)c1CCCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.33
TYR P14679 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL5586580 0.98 ESR1 (0.38) ESR1ALDH1A1ALOX5KDM4EHPGD
SCHEMBL5588661 0.98 ESR1 (0.38) ESR1ALDH1A1ALOX5KDM4EHPGD
SCHEMBL5586702 0.98 ESR1 (0.38) ESR1ALDH1A1ALOX5KDM4EHPGD
SCHEMBL5589304 0.98 ESR1 (0.38) ESR1ALDH1A1ALOX5KDM4EHPGD
SCHEMBL5586984 0.98 ESR1 (0.38) ESR1ALDH1A1ALOX5KDM4EHPGD
SCHEMBL5587189 0.95 FFAR1 (0.36) ESR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5588238 0.87 SMN1; SMN2 (0.36) ALDH1A1TDP1
SCHEMBL5589439 0.83 LDHA (0.41) ESR1KDM4EHSD17B10
SCHEMBL5590110 0.82 BID (0.40) ESR1KDM4EHSD17B10
SCHEMBL5586566 0.82 BID (0.40) ESR1KDM4EHSD17B10

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 1108/4885CYP19A1 1837/4885ALDH1A1 2181/4885

“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.