SCHEMBL224546

SCHEMBL224546

CCN(C(=O)c1ccccn1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP19A1 P11511 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GRM4 Q14833 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A9 P48067 1/20 0.38
HTR1A P08908 1/20 0.37

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
SCHEMBL227810 0.86 ESR1 (0.48) ESR1ESR2CA1CA2ACHE
SCHEMBL225753 0.84 CYP19A1 (0.47) ESR1ESR2CA1CA2ACHE
SCHEMBL225794 0.83 ESR1 (0.44) ESR1ESR2ALDH1A1HPGDCA1
SCHEMBL224977 0.83 ESR1 (0.49) ESR1ESR2ALDH1A1CA1CA2
SCHEMBL227894 0.82 ESR1 (0.47) ESR1ESR2SMN1; SMN2RAB9A
SCHEMBL227627 0.81 ESR1 (0.53) ESR1ESR2CA1CA2ACHE
SCHEMBL6426116 0.81 ESR1 (0.47) ESR1ESR2CA1CA2ACHE
SCHEMBL225033 0.81 ESR1 (0.45) ESR1ESR2CA1CA2ACHE
SCHEMBL224763 0.81 ESR1 (0.42) ESR1ESR2
SCHEMBL226133 0.81 ESR1 (0.47) ESR1ESR2CA1CA2ACHE

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 3 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

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 3/4885ALDH1A1 1214/4885

“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.