SCHEMBL5075243

SCHEMBL5075243

CCCCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.74
ESRRG P62508 7/20 0.74
PSMB1 P20618 7/20 0.73
PSMB5 P28074 6/20 0.73
PSMB2 P49721 3/20 0.73
ESR2 Q92731 2/20 0.65
ESRRB O95718 1/20 0.65
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
CHRM5 P08912 1/20 0.61
CYP2D6 P10635 1/20 0.61
THRB P10828 1/20 0.61
CYP2C9 P11712 1/20 0.61
ADRA2C P18825 1/20 0.61
DRD4 P21917 1/20 0.61
ACHE P22303 1/20 0.61
SLC6A2 P23975 1/20 0.61

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
SCHEMBL5075011 1.00 ESR1 (0.74) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL5075819 1.00 ESR1 (0.74) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL24354598 0.96 ESR1 (0.82) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL14539097 0.96 ESR1 (0.82) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL5075009 0.94 PSMB1 (0.82) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL5085438 0.94 PSMB1 (0.82) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL5075219 0.94 PSMB1 (0.82) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL5136332 0.91 PSMB1 (0.89) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL23266922 0.89 ESR1 (0.81) ESR1ESRRGPSMB1PSMB5PSMB2
SCHEMBL4637944 0.88 ESR1 (0.74) ESR1ESRRGPSMB1PSMB5PSMB2

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-20080255089-A1 Menopausal or postmenopausal disorders, vasomotor symptoms, urogenital disorders, female sexual dysfunction, breast cancer, depression, diabetes, bone demineralization, and osteoporosis; substituted 2-(p-aminoalkoxyphenyl)-1,1-diphenylethylene derivatives SMITHKLINE BEECHAM CORPORATION 2008-10-16 US claimed
EP-1951250-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP claimed
WO-2007062151-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO claimed
US-20080255089-A1 Menopausal or postmenopausal disorders, vasomotor symptoms, urogenital disorders, female sexual dysfunction, breast cancer, depression, diabetes, bone demineralization, and osteoporosis; substituted 2-(p-aminoalkoxyphenyl)-1,1-diphenylethylene derivatives SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
US-20080255089-A1 Menopausal or postmenopausal disorders, vasomotor symptoms, urogenital disorders, female sexual dysfunction, breast cancer, depression, diabetes, bone demineralization, and osteoporosis; substituted 2-(p-aminoalkoxyphenyl)-1,1-diphenylethylene derivatives SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
US-20080255089-A1 Menopausal or postmenopausal disorders, vasomotor symptoms, urogenital disorders, female sexual dysfunction, breast cancer, depression, diabetes, bone demineralization, and osteoporosis; substituted 2-(p-aminoalkoxyphenyl)-1,1-diphenylethylene derivatives SMITHKLINE BEECHAM CORPORATION 2008-10-16 US disclosed
EP-1951250-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062151-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007062151-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-20080255089-A1 Menopausal or postmenopausal disorders, vasomotor symptoms, urogenital disorders, female sexual dysfunction, breast cancer, depression, diabetes, bone demineralization, and osteoporosis; substituted 2-(p-aminoalkoxyphenyl)-1,1-diphenylethylene derivatives SHBG, ESR1, GPER1 ESR1 2/4885ESRRG 7/4885PSMB1 1596/4885

“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.