SCHEMBL5591152

SCHEMBL5591152

CCCCCCCCCCCCCOc1c(C)ccc(OC(=O)O)c1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PLA2G4B P0C869 1/20 0.41
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
S1PR3 Q99500 1/20 0.40
PTPN11 Q06124 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40

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
SCHEMBL5589251 1.00 ESR1 (0.43) ESR1TP53TSHRPLA2G4BTHRA
SCHEMBL5587146 1.00 ESR1 (0.43) ESR1TP53TSHRPLA2G4BTHRA
SCHEMBL5590425 0.99 ESR1 (0.40) ESR1TP53TSHRPLA2G4BTHRA
SCHEMBL5588864 0.90 PTPN1 (0.36) TSHRCYSLTR2CYSLTR1
SCHEMBL5588628 0.89 ALDH1A1 (0.46) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL5590490 0.89 ALDH1A1 (0.46) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL5590321 0.89 ALDH1A1 (0.46) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL5587328 0.89 ALDH1A1 (0.46) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL5586701 0.89 ALDH1A1 (0.46) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL5587289 0.87 ALDH1A1 (0.44) TP53TSHRPLA2G4BTHRATHRB

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 1108/4885TP53 3753/4885TSHR 4680/4885

“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.