SCHEMBL17845209

SCHEMBL17845209

O=C(c1ccc(OCCN2CC(CF)C2)cc1)c1c(-c2ccccc2)sc2cc(O)ccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.75
ESR2 Q92731 16/20 0.75
MEN1 O00255 2/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
TP53 P04637 2/20 0.66
CYP3A4 P08684 2/20 0.66
MAPT P10636 2/20 0.66
ALOX15 P16050 2/20 0.66
KMT2A Q03164 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
PLD2 O14939 1/20 0.66
KDM1A O60341 1/20 0.66
NR1I2 O75469 1/20 0.66
USP2 O75604 1/20 0.66
C5 P01031 1/20 0.66
FYN P06241 1/20 0.66
PGR P06401 1/20 0.66
ADRA2A P08913 1/20 0.66

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
SCHEMBL17845185 0.95 ESR1 (0.75) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL17845205 0.92 ESR1 (0.77) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL18162087 0.91 ESR1 (0.75) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL17858136 0.89 ESR1 (0.69) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL15038138 0.88 ESR1 (0.79) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL18150079 0.88 ESR1 (0.79) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL18150265 0.88 ESR1 (0.70) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL17858168 0.87 ESR1 (0.66) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL17858126 0.87 ESR1 (0.66) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7627103 0.86 ESR1 (0.98) ESR1ESR2MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
EP-3233828-B1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2020-03-04 EP disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
US-9845291-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2017-12-19 US disclosed
EP-3233828-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-07-13 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-20 US disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 WO disclosed
WO-2016097071-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 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-20170197915-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MEN1 2510/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MEN1 2510/4885

“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.