SCHEMBL17845125

SCHEMBL17845125

CC/C(=C(\c1ccc(I)cc1)c1ccc2[nH]ncc2c1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.70
CTNNB1 P35222 1/20 0.55
WNT3A P56704 1/20 0.55

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
SCHEMBL18165129 1.00 ESR1 (0.70) ESR1CTNNB1WNT3A
SCHEMBL17845126 1.00 ESR1 (0.70) ESR1CTNNB1WNT3A
SCHEMBL19125633 0.89 ESR1 (0.71) ESR1CTNNB1WNT3A
SCHEMBL795002 0.86 ESR1 (0.70) ESR1CTNNB1WNT3A
SCHEMBL795001 0.86 ESR1 (0.70) ESR1CTNNB1WNT3A
SCHEMBL795003 0.86 ESR1 (0.70) ESR1CTNNB1WNT3A
SCHEMBL795330 0.83 ESR1 (0.67) ESR1CTNNB1WNT3A
SCHEMBL795331 0.83 ESR1 (0.67) ESR1CTNNB1WNT3A
SCHEMBL19465651 0.83 ESR1 (0.64) ESR1CTNNB1WNT3A
SCHEMBL19465650 0.83 ESR1 (0.64) ESR1CTNNB1WNT3A

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 6 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
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-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

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 2/4885CTNNB1 760/4885WNT3A 2104/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885CTNNB1 760/4885WNT3A 2104/4885

“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.