SCHEMBL5530730

SCHEMBL5530730

Oc1ccc2c(c1)CCN(c1ccc(Cl)cc1Cl)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.47
ESR1 P03372 5/20 0.47
DRD2 P14416 3/20 0.45
DRD1 P21728 2/20 0.45
DRD5 P21918 2/20 0.45
DRD3 P35462 2/20 0.45
AKR1C3 P42330 1/20 0.43
MAPT P10636 3/20 0.41
DRD4 P21917 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 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 0.92 ESR2 (0.50) ESR2ESR1DRD2DRD1DRD5
SCHEMBL29977842 0.83 MAPT (0.56) AKR1C3MAPTALDH1A1KDM4EMEN1
SCHEMBL10682745 0.81 ESR2 (0.49) ESR2ESR1DRD2DRD1DRD5
SCHEMBL5518165 0.80 DRD1 (0.50) ESR2ESR1DRD2DRD1DRD5
SCHEMBL5518917 0.80 DRD1 (0.50) ESR2ESR1DRD2DRD1DRD5
SCHEMBL30109411 0.76 MAPT (0.53) AKR1C3MAPTALDH1A1MAPK1KDM4E
SCHEMBL5512730 0.76 MEN1 (0.56) ESR2ESR1DRD2DRD1DRD5
SCHEMBL19230582 0.75 PDK1 (0.46) ESR2ESR1AKR1C3MAPTLMNA
SCHEMBL5923918 0.75 ALDH1A1 (0.58) DRD2AKR1C3MAPTDRD4ALDH1A1
SCHEMBL5512037 0.74 MAPT (0.59) ESR2ESR1MAPTLMNAHTT

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 ESR2 1/4885ESR1 5/4885DRD2 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.