SCHEMBL227440

SCHEMBL227440

CCC(N)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 6/20 0.47
CYP19A1 P11511 2/20 0.43
CYP26A1 O43174 1/20 0.43
DRD4 P21917 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
HTR2A P28223 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL226147 0.78 DRD2 (0.52) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL226019 0.78 DRD2 (0.49) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL229597 0.77 ESR1 (0.41) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL224509 0.77 DRD2 (0.50) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL226103 0.76 DRD2 (0.39) DRD2DRD3CYP19A1CYP26A1ESR1
SCHEMBL226728 0.76 DRD2 (0.49) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL227442 0.76 ESR1 (0.54) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL225574 0.76 ESR1 (0.61) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL227441 0.74 ESR1 (0.50) DRD2DRD3CYP19A1CYP26A1DRD4
SCHEMBL2828615 0.74 CA1 (0.47) DRD2DRD3CYP19A1CYP26A1DRD4

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 DRD2 2301/4885DRD3 1675/4885CYP19A1 22/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 DRD2 1993/4885DRD3 1503/4885CYP19A1 20/4885

“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.