SCHEMBL4668880

SCHEMBL4668880

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.50
ESR1 P03372 14/20 0.47
ESR2 Q92731 12/20 0.47
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP3A5 P20815 2/20 0.44
CYP2D6 P10635 1/20 0.44
CNR2 P34972 1/20 0.42
SMPD1 P17405 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 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
SCHEMBL3823445 0.95 CYP19A1 (0.50) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL4665860 0.93 CYP19A1 (0.57) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL4666434 0.89 ESR1 (0.51) CYP19A1ESR1ESR2CNR2SMPD1
SCHEMBL3813207 0.88 CYP19A1 (0.57) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL5048730 0.86 ESR1 (0.49) CYP19A1ESR1ESR2CNR2SMPD1
SCHEMBL5052671 0.84 ESR1 (0.51) CYP19A1ESR1ESR2CNR2SMPD1
SCHEMBL4896555 0.83 ESR1 (0.54) CYP19A1ESR1ESR2CNR2SMPD1
SCHEMBL14075688 0.83 CYP19A1 (0.49) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL4637955 0.82 ESR1 (0.60) ESR1ESR2CYP3A4CYP1A2CYP2D6
SCHEMBL14531982 0.81 CYP19A1 (0.46) CYP19A1ESR1ESR2CYP3A4CYP1A2

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-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
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 CYP19A1 7/4885ESR1 4/4885ESR2 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.