SCHEMBL3810883

SCHEMBL3810883

CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.73
CYP19A1 P11511 4/20 0.73
PTGS2 P35354 1/20 0.58
NR1I2 O75469 2/20 0.57
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
PRKD3 O94806 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
GBA1 P04062 1/20 0.50
NR3C1 P04150 1/20 0.50
ERBB2 P04626 1/20 0.50
TP53 P04637 1/20 0.50
PRKCG P05129 1/20 0.50
CYP1A2 P05177 1/20 0.50
PRKCB P05771 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL9451174 0.90 ESR1 (0.89) ESR1CYP19A1NR1I2CYP3A4MEN1
SCHEMBL9451178 0.90 ESR1 (0.89) ESR1CYP19A1NR1I2CYP3A4MEN1
SCHEMBL9556679 0.90 ESR1 (0.89) ESR1CYP19A1NR1I2CYP3A4MEN1
SCHEMBL3812915 0.88 ESR1 (0.92) ESR1CYP19A1CYP3A4CYP1A2CYP2D6
SCHEMBL639683 0.85 ESR1 (1.00) ESR1CYP19A1CYP3A4MEN1TP53
SCHEMBL6767349 0.85 ESR1 (1.00) ESR1CYP19A1CYP3A4MEN1TP53
SCHEMBL6769196 0.85 ESR1 (1.00) ESR1CYP19A1CYP3A4MEN1TP53
SCHEMBL656832 0.82 LMNA (0.67) MEN1MAPTKMT2A
SCHEMBL10428800 0.81 LMNA (0.58) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL10780099 0.81 PTGS2 (0.76) ESR1CYP19A1PTGS2NR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-12-25 US claimed
EP-1951043-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP claimed
WO-2007062067-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO claimed
EP-1951217-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
US-20080319078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-12-25 US disclosed
US-20080319078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-12-25 US disclosed
US-20080319078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-12-25 US disclosed
US-20080234199-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
EP-1951217-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
EP-1951043-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062148-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062067-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 (2 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-20080319078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG ESR1 4/4885CYP19A1 7/4885PTGS2 435/4885
US-20080234199-A1 Chemical Compounds GPER1, ESR2, ESR1 ESR1 3/4885CYP19A1 7/4885PTGS2 280/4885

“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.