SCHEMBL5069489

SCHEMBL5069489

CCC(=C(c1ccc(C=O)cc1)c1ccc(OC)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.66
ESR1 P03372 11/20 0.57
ESR2 Q92731 5/20 0.57
PGR P06401 3/20 0.57
NR1I2 O75469 2/20 0.54
CYP19A1 P11511 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2A6 P11509 1/20 0.53
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
PRKD3 O94806 1/20 0.51
ABCB11 O95342 1/20 0.51
EGFR P00533 1/20 0.51
GBA1 P04062 1/20 0.51
NR3C1 P04150 1/20 0.51
ERBB2 P04626 1/20 0.51
TP53 P04637 1/20 0.51
PRKCG P05129 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL5069485 1.00 PTGS2 (0.66) PTGS2ESR1ESR2PGRNR1I2
SCHEMBL5124512 0.90 ESR1 (0.68) PTGS2ESR1ESR2PGRCYP19A1
SCHEMBL5124519 0.90 ESR1 (0.68) PTGS2ESR1ESR2PGRCYP19A1
SCHEMBL5124515 0.90 ESR1 (0.68) PTGS2ESR1ESR2PGRCYP19A1
SCHEMBL10780099 0.88 PTGS2 (0.76) PTGS2ESR1ESR2PGRNR1I2
SCHEMBL14141286 0.87 PTGS2 (0.60) PTGS2ESR1ESR2PGRNR1I2
SCHEMBL18972865 0.87 ALDH1A1 (0.66) PTGS2CYP19A1CYP3A4ALDH1A1CYP2A6
SCHEMBL5069436 0.85 ESR1 (0.60) PTGS2ESR1ESR2PGRNR1I2
SCHEMBL5115235 0.85 ESR1 (0.60) PTGS2ESR1ESR2PGRNR1I2
SCHEMBL14051210 0.85 PTGS2 (0.61) PTGS2ESR1ESR2PGRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442833-B2 Triphenylethylene compounds as selective estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
US-7442833-B2 Triphenylethylene compounds as selective estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
US-7442833-B2 Triphenylethylene compounds as selective estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
EP-1692127-B1 TRIPHENYLETHYLENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORP (US) 2008-07-02 EP disclosed
US-20070111971-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2007-05-17 US disclosed
US-20070111971-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2007-05-17 US disclosed
US-20070111971-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2007-05-17 US disclosed
EP-1692127-A2 TRIPHENYLETHYLENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-23 EP disclosed
WO-2005033056-A2 TRIPHENYLETHYLENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-04-14 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-20070111971-A1 Novel compounds GPER1, ESR2, ESR1 PTGS2 586/4885ESR1 3/4885ESR2 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.