SCHEMBL4667400

SCHEMBL4667400

CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCO)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.74
ESR1 P03372 19/20 0.67
ESR2 Q92731 8/20 0.57
CYP3A4 P08684 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2A6 P11509 2/20 0.57
CYP3A5 P20815 2/20 0.57
CYP2D6 P10635 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PLD2 O14939 1/20 0.55
ESRRB O95718 1/20 0.55
PGR P06401 1/20 0.55

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
SCHEMBL4667554 0.92 CYP19A1 (0.64) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL4667548 0.92 ESR1 (0.66) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL4665856 0.90 CYP19A1 (0.60) CYP19A1ESR1ESR2ESRRBESRRG
SCHEMBL4667511 0.87 ESR1 (0.59) CYP19A1ESR1ESR2ESRRBESRRG
SCHEMBL4638589 0.86 ESR1 (0.89) ESR1ESR2CYP3A4CYP1A2CYP2D6
SCHEMBL31167386 0.85 CYP19A1 (1.00) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL3813077 0.84 CYP19A1 (0.89) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL14531703 0.84 ESR1 (0.65) CYP19A1ESR1ESR2CYP3A4CYP1A2
SCHEMBL4667966 0.84 ESR1 (0.69) CYP19A1ESR1ESR2
SCHEMBL4668900 0.83 ESR1 (0.55) CYP19A1ESR1ESR2ESRRBESRRG

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.