SCHEMBL5518917

SCHEMBL5518917

Cc1cc(O)ccc1N1CCc2cc(O)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.50
DRD5 P21918 8/20 0.50
DRD2 P14416 8/20 0.50
ESR2 Q92731 7/20 0.50
DRD3 P35462 7/20 0.50
ESR1 P03372 5/20 0.50
DRD4 P21917 5/20 0.45
CA9 Q16790 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40

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
SCHEMBL5516095 0.84 ESR2 (0.50) DRD1DRD5DRD2ESR2DRD3
SCHEMBL20860821 0.80 ALDH1A1 (0.61) DRD1DRD5ESR2ESR1
SCHEMBL5530730 0.80 ESR2 (0.47) DRD1DRD5DRD2ESR2DRD3
SCHEMBL5512730 0.77 MEN1 (0.56) DRD1DRD5DRD2ESR2DRD3
SCHEMBL31016406 0.76 ESR2 (0.40) DRD1DRD5DRD2ESR2DRD3
SCHEMBL5515881 0.76 HTR3E (0.56) DRD1DRD5DRD2ESR2DRD3
SCHEMBL5512037 0.76 MAPT (0.59) ESR2ESR1
SCHEMBL18960451 0.75 MEN1 (0.50) DRD1DRD5DRD2ESR2DRD3
SCHEMBL798654 0.75 PDGFRB (0.43) DRD1DRD5DRD2ESR2DRD3
SCHEMBL23735862 0.74 ALDH1A1 (0.59) ESR2ESR1

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 DRD1 753/4885DRD5 719/4885DRD2 535/4885

“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.