SCHEMBL17845172

SCHEMBL17845172

CCC(=C(c1ccc(O)cc1)c1ccc(OCCN2CC[C@@H](CF)C2)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.62
PSMB1 P20618 4/20 0.62
PSMB5 P28074 3/20 0.62
PSMB2 P49721 1/20 0.62
ESR2 Q92731 8/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE1C Q14123 1/20 0.57
CYP19A1 P11511 6/20 0.57
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP3A5 P20815 1/20 0.56
ESRRG P62508 3/20 0.56
ESRRB O95718 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL17845169 1.00 ESR1 (0.62) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL21780775 1.00 ESR1 (0.62) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17858203 1.00 ESR1 (0.62) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17845170 1.00 ESR1 (0.62) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17858206 0.96 ESR1 (0.67) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17845214 0.96 ESR1 (0.67) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17845112 0.96 ESR1 (0.67) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17858207 0.96 ESR1 (0.67) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17845113 0.96 ESR1 (0.67) ESR1PSMB1PSMB5PSMB2ESR2
SCHEMBL17845211 0.96 ESR1 (0.67) ESR1PSMB1PSMB5PSMB2ESR2

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 2/4885PSMB1 736/4885PSMB5 532/4885
US-20160304450-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESR1, GPER1 ESR1 2/4885PSMB1 736/4885PSMB5 532/4885

“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.