SCHEMBL5588913

SCHEMBL5588913

CCc1c(O)c(O)c(-c2ccccc2)c(CC)c1CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
GCGR P47871 2/20 0.42
USP7 Q93009 2/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
KDM4E B2RXH2 3/20 0.40
RCE1 Q9Y256 1/20 0.40
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
DHFR P00374 1/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36

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
SCHEMBL27860186 0.83 ESR1 (0.47) ESR1ESR2GCGRUSP7KDM4E
SCHEMBL5587371 0.80 ESR1 (0.42) ESR1ESR2GCGRUSP7KDM4E
SCHEMBL15380165 0.80 ESR1 (0.47) ESR1ESR2GCGRUSP7PDE4A
SCHEMBL27450086 0.77 ESR1 (0.45) ESR1ESR2GCGRUSP7PDE4A
SCHEMBL18860238 0.77 ESR1 (0.45) ESR1ESR2GCGRUSP7PDE4A
SCHEMBL5587529 0.77 KDM4E (0.39) ESR1ESR2GCGRUSP7PDE4A
SCHEMBL5588923 0.77 PDE4A (0.48) ESR1ESR2GCGRUSP7PDE4A
SCHEMBL18860235 0.76 ESR1 (0.47) ESR1ESR2GCGRUSP7PDE4A
SCHEMBL10870649 0.76 ESR1 (0.44) ESR1ESR2GCGRUSP7PDE4A
SCHEMBL5589592 0.74 GCGR (0.46) GCGRKDM4EGAADHFR

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 1108/4885ESR2 2269/4885GCGR 3863/4885

“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.