SCHEMBL5587325

SCHEMBL5587325

CCCCCCCCCOc1cc(O)c(O)c(C(=O)O)c1OCCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
PLA2G2A P14555 1/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMPD1 P17405 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
S1PR3 Q99500 1/20 0.44

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
SCHEMBL5588624 1.00 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5586697 1.00 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5590318 1.00 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5590487 1.00 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5587285 0.99 ESR1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588576 0.90 TP53 (0.41) ESR1ALDH1A1
SCHEMBL5588571 0.86 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5591149 0.86 THRA (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5587143 0.86 THRA (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5589245 0.86 THRA (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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 1108/4885AKR1C4 2602/4885AKR1C3 2555/4885

“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.