SCHEMBL227441

SCHEMBL227441

CCNCc1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
DRD2 P14416 6/20 0.47
DRD3 P35462 6/20 0.47
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
CYP26A1 O43174 1/20 0.43
CYP19A1 P11511 1/20 0.43
DRD4 P21917 2/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL226019 0.83 DRD2 (0.49) ESR1ESR2DRD2DRD3CA1
SCHEMBL228535 0.82 ESR1 (0.61) ESR1ESR2CA1CA2CYP26A1
SCHEMBL224509 0.81 DRD2 (0.50) ESR1ESR2DRD2DRD3CA1
SCHEMBL224674 0.77 DRD2 (0.48) ESR1ESR2DRD2DRD3CA1
SCHEMBL227373 0.77 LTA4H (0.47) ESR1ESR2
SCHEMBL229598 0.76 ESR1 (0.49) ESR1ESR2DRD2DRD3CA1
SCHEMBL2828615 0.76 CA1 (0.47) ESR1ESR2DRD2DRD3CA1
SCHEMBL226401 0.76 CYP26A1 (0.60) ESR1ESR2DRD2DRD3CA1
SCHEMBL226147 0.76 DRD2 (0.52) DRD2DRD3CA1CA2ACHE
SCHEMBL226728 0.76 DRD2 (0.49) ESR1ESR2DRD2DRD3CA1

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-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
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
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885DRD2 2301/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885DRD2 1993/4885

“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.