SCHEMBL4667972

SCHEMBL4667972

CCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OC)c(CCOCCO)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.49
ESR2 Q92731 4/20 0.49
CYP19A1 P11511 2/20 0.41
ESRRB O95718 2/20 0.35
ESRRG P62508 5/20 0.35
CNR2 P34972 1/20 0.34
ALOX5 P09917 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL4666362 0.85 ALDH1A1 (0.38) ESR1ESR2CYP19A1ALOX5GABRA1
SCHEMBL5048730 0.84 ESR1 (0.49) ESR1ESR2CYP19A1ESRRGCNR2
SCHEMBL4896555 0.81 ESR1 (0.54) ESR1ESR2CYP19A1ESRRGCNR2
SCHEMBL3817125 0.81 ESR1 (0.54) ESR1ESR2CYP19A1ESRRGCNR2
SCHEMBL5052671 0.78 ESR1 (0.51) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL4666434 0.78 ESR1 (0.51) ESR1ESR2CYP19A1ESRRBESRRG
SCHEMBL14531982 0.75 CYP19A1 (0.46) ESR1ESR2CYP19A1
SCHEMBL4668880 0.74 CYP19A1 (0.50) ESR1ESR2CYP19A1CNR2
SCHEMBL3823445 0.74 CYP19A1 (0.50) ESR1ESR2CYP19A1
SCHEMBL3818064 0.74 ESR1 (0.56) ESR1ESR2CYP19A1ESRRBESRRG

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
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
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 2/4885CYP19A1 7/4885

“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.