SCHEMBL4666434

SCHEMBL4666434

CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OC)c(OCCOCCO)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.51
ESR2 Q92731 2/20 0.51
CNR2 P34972 2/20 0.46
SMPD1 P17405 5/20 0.45
PDE4B Q07343 2/20 0.40
PTGS2 P35354 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ESRRG P62508 4/20 0.39
ESRRB O95718 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL5052671 0.96 ESR1 (0.51) ESR1ESR2CNR2SMPD1PTGS2
SCHEMBL4893739 0.93 ESR1 (0.56) ESR1ESR2CNR2SMPD1PDE4B
SCHEMBL5048730 0.89 ESR1 (0.49) ESR1ESR2CNR2SMPD1ESRRG
SCHEMBL4668880 0.89 CYP19A1 (0.50) ESR1ESR2CNR2SMPD1PDE4B
SCHEMBL3818064 0.89 ESR1 (0.56) ESR1ESR2CNR2SMPD1PTGS2
SCHEMBL4896555 0.86 ESR1 (0.54) ESR1ESR2CNR2SMPD1PDE4B
SCHEMBL3823445 0.84 CYP19A1 (0.50) ESR1ESR2CYP19A1
SCHEMBL5004320 0.83 ESR1 (0.52) ESR1ESR2CNR2ESRRGESRRB
SCHEMBL4667623 0.83 ESR1 (0.52) ESR1ESR2CNR2SMPD1PDE4B
SCHEMBL3817125 0.82 ESR1 (0.54) ESR1ESR2CNR2SMPD1ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951216-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP claimed
WO-2007062145-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO claimed
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 US disclosed
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 US disclosed
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 US 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 4/4885ESR2 2/4885CNR2 574/4885

“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.