SCHEMBL4066783

SCHEMBL4066783

COc1ccc(C(OCCOC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 5/20 0.51
SLC6A1 P30531 2/20 0.51
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A12 P48065 1/20 0.46
SLC6A13 Q9NSD5 1/20 0.46
KIF11 P52732 5/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL19393417 0.89 KIF11 (0.52) SLC6A1KIF11
SCHEMBL16472613 0.85 SLC6A11 (0.47) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL14866488 0.84 SLC6A11 (0.47) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL28628138 0.84 SLC6A11 (0.47) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL30861823 0.82 SLC6A11 (0.53) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL23777354 0.82 TP53 (0.47) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL6839724 0.82 SLC6A11 (0.50) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL13020551 0.81 SLC6A11 (0.43) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL13575117 0.81 SLC6A11 (0.45) SLC6A11SLC6A1TP53MEN1CYP1A2
SCHEMBL31003057 0.81 SLC6A11 (0.45) SLC6A11SLC6A1TP53MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211343-B2 siRNA conjugate and preparation method thereof BIONEER CORPORATION (KR) 2015-12-15 US disclosed
US-20140350233-A1 SIRNA CONJUGATE AND PREPARATION METHOD THEREOF BIONEER CORPORATION (KR) 2014-11-27 US disclosed
US-20140350232-A1 SIRNA CONJUGATE AND PREPARATION METHOD THEREOF BIONEER CORPORATION (KR) 2014-11-27 US disclosed
US-8779114-B2 siRNA conjugate and preparation method thereof BIONEER CORPORATION (KR) 2014-07-15 US disclosed
US-8772472-B2 SiRNA conjugate and preparation method thereof BIONEER CORPORATION (KR) 2014-07-08 US disclosed
US-20130096288-A1 siRNA conjugate and preparation method thereof BIONEER CORPORATION (KR) 2013-04-18 US disclosed
US-20120108803-A1 SIRNA CONJUGATE AND PREPARATION METHOD THEREOF BIONEER CORPORATION (KR) 2012-05-03 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 (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-20140350233-A1 SIRNA CONJUGATE AND PREPARATION METHOD THEREOF PHAX, RNASE1, MCTS1 SLC6A11 4189/4885SLC6A1 3925/4885TP53 883/4885
US-20120108803-A1 SIRNA CONJUGATE AND PREPARATION METHOD THEREOF PHAX, RNASE1, MCTS1 SLC6A11 4189/4885SLC6A1 3925/4885TP53 883/4885

“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.