SCHEMBL1260569

SCHEMBL1260569

COc1ccc(C(OCCCCCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.46
SLC6A1 P30531 2/20 0.46
KIF11 P52732 5/20 0.46
KCNH2 Q12809 1/20 0.46
TK2 O00142 4/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6849984 1.00 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL27051202 1.00 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL13427508 1.00 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL887485 1.00 SLC6A11 (0.46) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL8860350 0.98 SLC6A11 (0.47) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL334143 0.94 SLC6A11 (0.48) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL26415000 0.93 SLC6A11 (0.44) SLC6A11SLC6A1KIF11KCNH2MEN1
SCHEMBL8327519 0.92 KIF11 (0.42) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL19437634 0.90 SLC6A11 (0.43) SLC6A11SLC6A1KIF11KCNH2TK2
SCHEMBL20915040 0.90 SLC6A11 (0.43) SLC6A11SLC6A1KIF11KCNH2TK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110135669-A1 SYNTHETIC AGONISTS OF TLR9 IDERA PHARMACEUTICALS, INC. 2011-06-09 US disclosed
US-7884197-B2 Synthetic agonists of TLR9 IDERA PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
EP-2079305-A2 SYNTHETIC AGONISTS OF TLR9 Idera Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
US-20080292648-A1 SYNTHETIC AGONISTS OF TLR9 IDERA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
WO-2008073959-A2 SYNTHETIC AGONISTS OF TLR9 IDERA PHARMACEUTICALS, INC. (US) 2008-06-19 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 (2 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-20080292648-A1 SYNTHETIC AGONISTS OF TLR9 TLR9, TLR3, TLR7 SLC6A11 4722/4885SLC6A1 4756/4885KIF11 3670/4885
US-20110135669-A1 SYNTHETIC AGONISTS OF TLR9 TLR9, TLR3, TLR7 SLC6A11 4722/4885SLC6A1 4756/4885KIF11 3670/4885

“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.