SCHEMBL4893739

SCHEMBL4893739

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.56
ESR2 Q92731 2/20 0.56
CNR2 P34972 2/20 0.49
SMPD1 P17405 5/20 0.48
CYP19A1 P11511 1/20 0.44
PTGS2 P35354 1/20 0.43
ESRRG P62508 4/20 0.42
PDE4B Q07343 1/20 0.42
ESRRB O95718 1/20 0.42
PRSS1 P07477 1/20 0.41

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
SCHEMBL3818064 0.95 ESR1 (0.56) ESR1ESR2CNR2SMPD1CYP19A1
SCHEMBL4666434 0.93 ESR1 (0.51) ESR1ESR2CNR2SMPD1CYP19A1
SCHEMBL4896555 0.93 ESR1 (0.54) ESR1ESR2CNR2SMPD1CYP19A1
SCHEMBL5052671 0.89 ESR1 (0.51) ESR1ESR2CNR2SMPD1CYP19A1
SCHEMBL3817125 0.88 ESR1 (0.54) ESR1ESR2CNR2SMPD1CYP19A1
SCHEMBL4665860 0.88 CYP19A1 (0.57) ESR1ESR2CNR2SMPD1CYP19A1
SCHEMBL5004320 0.87 ESR1 (0.52) ESR1ESR2CNR2ESRRGESRRB
SCHEMBL4667623 0.87 ESR1 (0.52) ESR1ESR2CNR2SMPD1PTGS2
SCHEMBL5075263 0.83 THRA (0.56) ESR1ESR2ESRRGESRRB
SCHEMBL3814114 0.83 ESR1 (0.52) ESR1ESR2CNR2SMPD1PTGS2

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 4 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
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.