SCHEMBL228088

SCHEMBL228088

CCN(C(=O)c1ccc(C2CCNCC2)cc1)c1cc(OC)c(OC)cc1C1CCc2cc(OC(=O)C(C)(C)C)ccc2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ESRRG P62508 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
MCHR1 Q99705 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ACHE P22303 5/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LIMK2 P53671 1/20 0.30

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
SCHEMBL228087 1.00 ESR1 (0.33) ESR1ESR2ESRRGOPRM1OPRD1
SCHEMBL227057 0.92 ESR1 (0.41) ESR1ESR2ESRRGOPRM1OPRD1
SCHEMBL227056 0.92 ESR1 (0.41) ESR1ESR2ESRRGOPRM1OPRD1
SCHEMBL225691 0.90 ESR1 (0.39) ESR1ESR2MCHR1KMT2AMEN1
SCHEMBL225692 0.90 ESR1 (0.39) ESR1ESR2MCHR1KMT2AMEN1
SCHEMBL225204 0.89 TUBB4A (0.36) ESR1ESR2MCHR1ACHECA1
SCHEMBL226129 0.88 GPR119 (0.41) KMT2AMEN1
SCHEMBL227300 0.84 ESR1 (0.35) ESR1ESR2OPRM1OPRD1MCHR1
SCHEMBL227299 0.84 ESR1 (0.35) ESR1ESR2OPRM1OPRD1MCHR1
SCHEMBL228415 0.83 ESR1 (0.33) ESR1ESR2MCHR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US 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-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885ESRRG 5/4885

“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.