SCHEMBL5515316

SCHEMBL5515316

COc1ccc(N2CCc3cc(OC)ccc3C2c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.53
CA2 P00918 8/20 0.53
CA9 Q16790 8/20 0.53
CA14 Q9ULX7 8/20 0.53
DRD1 P21728 4/20 0.50
GRIN2C Q14957 1/20 0.44
DRD2 P14416 2/20 0.44
CA7 P43166 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
DRD3 P35462 1/20 0.42
TP53 P04637 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5516099 0.81 ESR1 (0.59) ESR1ESR2
SCHEMBL6715265 0.81 CA1 (0.62) CA1CA2CA9CA14DRD1
SCHEMBL5518169 0.81 CA1 (0.51) CA1CA2CA9CA14DRD1
SCHEMBL5519137 0.81 DRD1 (0.60) CA1CA2CA9CA14DRD1
SCHEMBL5512737 0.80 CA1 (0.63) CA1CA2CA9CA14DRD1
SCHEMBL6328715 0.80 ESR1 (0.47) DRD1ESR1ESR2
SCHEMBL3778328 0.78 CA1 (0.48) CA1CA2CA9CA14DRD1
SCHEMBL5518952 0.78 DRD1 (0.51) CA1CA2CA9CA14DRD1
SCHEMBL6713488 0.78 ESR1 (0.61) CA1CA2CA9CA14DRD1
Hydrochloric Acid SCHEMBL3767343 0.77 ESR1 (0.57) CA1CA2CA9CA14DRD1

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-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

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 CA1 3708/4885CA2 4743/4885CA9 4694/4885

“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.