SCHEMBL317687

SCHEMBL317687

COc1ccc(C2=Cc3ccc(OC)c([N+](=O)[O-])c3C3CCCCC23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BLM P54132 1/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
APP P05067 1/20 0.34
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR7 P34969 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10109437 1.00 TP53 (0.36) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL10108986 0.78 HCRTR1 (0.38) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL317877 0.78 HCRTR1 (0.38) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL10109142 0.73 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL317691 0.73 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL317860 0.71 NOS3 (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL10108826 0.71 NOS3 (0.44) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3639292 0.70 BACE1 (0.43) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL318212 0.69 MAP2K3 (0.35) TP53PDE4APDE4BPDE4CPDE4D
SCHEMBL10109428 0.69 MAP2K3 (0.35) TP53PDE4APDE4BPDE4CPDE4D

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-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG TP53 705/4885PDE4A 2708/4885PDE4B 3505/4885

“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.