SCHEMBL5518906

SCHEMBL5518906

O=C(c1ccc(O)cc1)N1CCc2ccc(O)cc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA7 P43166 3/20 0.67
CA9 Q16790 3/20 0.67
CA14 Q9ULX7 3/20 0.67
ESR1 P03372 5/20 0.62
ESR2 Q92731 5/20 0.62
PDE4B Q07343 1/20 0.55
PDE4D Q08499 1/20 0.55
HPGD P15428 4/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
NAMPT P43490 1/20 0.51
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5512748 0.94 CA1 (0.76) CA1CA2CA7CA9CA14
SCHEMBL19135758 0.91 CA1 (0.62) CA1CA2CA7CA9CA14
SCHEMBL16523571 0.91 CA1 (0.61) CA1CA2CA7CA9CA14
SCHEMBL10680869 0.87 CA1 (0.70) CA1CA2CA7CA9CA14
SCHEMBL3056380 0.85 CA1 (0.68) CA1CA2CA7CA9CA14
SCHEMBL8243015 0.83 PDE4B (0.56) CA1CA2CA7CA9CA14
SCHEMBL30199245 0.82 ESR2 (0.68) CA1CA2CA7CA9CA14
SCHEMBL1648634 0.82 ESR2 (0.68) CA1CA2CA7CA9CA14
SCHEMBL3895820 0.81 ESR2 (0.66) CA1CA2CA7CA9CA14
SCHEMBL31189089 0.80 CA1 (0.62) CA1CA2CA7CA9CA14

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 CA1 3708/4885CA2 4743/4885CA7 4839/4885

“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.