SCHEMBL4920629

SCHEMBL4920629

CS(=O)(=O)c1ccc(-c2ccc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)c(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.66
ESR2 Q92731 18/20 0.66
ABCC1 P33527 1/20 0.54
STS P08842 1/20 0.53
MEN1 O00255 1/20 0.53
PLD2 O14939 1/20 0.53
KDM1A O60341 1/20 0.53
NR1I2 O75469 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
C5 P01031 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
FYN P06241 1/20 0.53
PGR P06401 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL14070512 0.91 ESR1 (0.67) ESR1ESR2ABCC1STS
SCHEMBL14070522 0.91 ESR1 (0.57) ESR1ESR2STSMEN1PLD2
Hydrochloric Acid SCHEMBL3116478 0.91 ESR1 (0.76) ESR1ESR2ABCC1MEN1PLD2
SCHEMBL8472971 0.88 ESR1 (0.71) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL4924099 0.86 ESR1 (0.55) ESR1ESR2STS
SCHEMBL4920396 0.86 ESR1 (0.65) ESR1ESR2ABCC1STS
SCHEMBL8477101 0.84 ESR1 (0.62) ESR1ESR2
SCHEMBL5424599 0.83 ESR1 (0.61) ESR1ESR2MEN1PLD2KDM1A
SCHEMBL3122366 0.83 ESR1 (0.63) ESR1ESR2
SCHEMBL11185354 0.83 ESR1 (0.69) ESR1ESR2MEN1PLD2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221163-A1 Selective Estrogen Receptor Modulators ELI LILLY AND COMPANY 2008-09-11 US disclosed
US-20080221163-A1 Selective Estrogen Receptor Modulators ELI LILLY AND COMPANY 2008-09-11 US disclosed
US-20080221163-A1 Selective Estrogen Receptor Modulators ELI LILLY AND COMPANY 2008-09-11 US disclosed
EP-1713820-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005073244-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-08-11 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-20080221163-A1 Selective Estrogen Receptor Modulators GPER1, ESR2, ESR1 ESR1 3/4885ESR2 2/4885ABCC1 2190/4885

“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.