SCHEMBL5518952

SCHEMBL5518952

COc1ccc(N2CCc3cc(OC)ccc3C2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.51
DRD2 P14416 3/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
DRD3 P35462 2/20 0.48
HTR2C P28335 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
CA14 Q9ULX7 6/20 0.44
ADRA1A P35348 1/20 0.43
CYP19A1 P11511 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL19439323 0.92 DRD1 (0.47) DRD1DRD2DRD4DRD5DRD3
SCHEMBL8024197 0.83 MAOA (0.60) DRD1DRD2DRD4DRD5DRD3
SCHEMBL5514232 0.83 DRD1 (0.53) DRD1DRD2DRD4DRD5DRD3
SCHEMBL5512737 0.80 CA1 (0.63) DRD1CA1CA2CA9CA14
SCHEMBL5519137 0.78 DRD1 (0.60) DRD1DRD2DRD4DRD5DRD3
SCHEMBL5525385 0.78 ESR1 (0.62) DRD1DRD2DRD4DRD5DRD3
SCHEMBL5518169 0.78 CA1 (0.51) DRD1DRD2DRD4DRD5DRD3
SCHEMBL5515316 0.78 CA1 (0.53) DRD1DRD2DRD4DRD5DRD3
SCHEMBL6713488 0.77 ESR1 (0.61) DRD1CA1CA2CA9CA14
Hydrochloric Acid SCHEMBL3767343 0.77 ESR1 (0.57) DRD1CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256201-B2 Selective estrogen receptor-β ligands ASTRAZENECA AB (SE) 2007-08-14 US disclosed
US-20050101584-A1 Selective estrogen receptor-beta ligands ASTRAZENECA AB (SE) 2005-05-12 US disclosed
EP-1341765-A1 THERAPEUTIC COMPOUNDS AstraZeneca AB (SE) 2003-09-10 EP disclosed
WO-2002046164-A1 THERAPEUTIC COMPOUNDS ASTRAZENECA AB (SE) 2002-06-13 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 (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-20050101584-A1 Selective estrogen receptor-beta ligands ESR2, ESRRA, ESRRB DRD1 753/4885DRD2 535/4885DRD4 521/4885

“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.