SCHEMBL3686222

SCHEMBL3686222

COc1ccc(C2=CC(=O)C3CN(Cc4ccccc4)CC23)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
DRD4 P21917 1/20 0.46
HRH2 P25021 1/20 0.46
ROCK2 O75116 1/20 0.45

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
SCHEMBL3641927 0.84 GRIN2B (0.48) DRD4
SCHEMBL6572711 0.77 SIGMAR1 (0.64) SIGMAR1DRD2DRD3KMT2AMEN1
SCHEMBL4398398 0.76 SIGMAR1 (0.49) SIGMAR1DRD2DRD3PDE4APDE4B
SCHEMBL5271741 0.76 SIGMAR1 (0.49) SIGMAR1DRD2DRD3PDE4APDE4B
SCHEMBL23701396 0.76 KMT2A (0.55) SIGMAR1DRD2DRD3KMT2ALMNA
SCHEMBL13362731 0.72 RORC (0.58) SIGMAR1DRD2DRD3KMT2AMEN1
SCHEMBL23923817 0.72 RORC (0.58) SIGMAR1DRD2DRD3KMT2AMEN1
SCHEMBL2328351 0.72 SIGMAR1 (0.56) SIGMAR1DRD2DRD3KMT2AMEN1
SCHEMBL2328354 0.72 SIGMAR1 (0.56) SIGMAR1DRD2DRD3KMT2AMEN1
SCHEMBL2328348 0.72 SIGMAR1 (0.56) SIGMAR1DRD2DRD3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
US-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-08-19 US disclosed
EP-2176209-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2010-04-21 EP disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 WO disclosed
WO-2009012954-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-01-29 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-20100210524-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, ESRRA, ESR2 SIGMAR1 98/4885DRD2 1578/4885DRD3 1112/4885

“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.