SCHEMBL4667526

SCHEMBL4667526

CCOC(=O)CCCOc1cccc(C(CC)=C(c2ccc(O)cc2)c2ccc(O)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.62
CYP19A1 P11511 4/20 0.51
ESR2 Q92731 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49

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
SCHEMBL4665843 0.92 ESR1 (0.53) ESR1CYP19A1ESR2CYSLTR2CYSLTR1
SCHEMBL4667966 0.87 ESR1 (0.69) ESR1CYP19A1ESR2
SCHEMBL3817073 0.87 ESR1 (0.62) ESR1CYP19A1ESR2
SCHEMBL14531703 0.83 ESR1 (0.65) ESR1CYP19A1ESR2
SCHEMBL3814029 0.81 TSHR (0.44) ESR1ESR2
SCHEMBL4667548 0.81 ESR1 (0.66) ESR1CYP19A1ESR2
SCHEMBL4667400 0.81 CYP19A1 (0.74) ESR1CYP19A1ESR2
SCHEMBL4666452 0.81 CYSLTR2 (0.54) CYSLTR2CYSLTR1
SCHEMBL4667736 0.80 ESR1 (0.58) ESR1CYP19A1ESR2
SCHEMBL3173429 0.79 CYSLTR2 (0.60) CYSLTR2CYSLTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 US disclosed
EP-1951216-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062145-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG ESR1 4/4885CYP19A1 7/4885ESR2 2/4885

“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.