SCHEMBL2288429

SCHEMBL2288429

COc1ccccc1C(OCCOCCCSSCCCOCCO)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TK2 O00142 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KIF11 P52732 1/20 0.32
SLC6A1 P30531 1/20 0.31
DUT P33316 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNA5 P22460 1/20 0.31
GAA P10253 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30

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
SCHEMBL18704105 0.91 KIF11 (0.38) NR3C2TK2ALDH1A1HTTLMNA
SCHEMBL2288437 0.90 ALDH1A1 (0.40) BCHEACHETK2ALDH1A1HTT
SCHEMBL2288433 0.84 SLC6A11 (0.43) TK2KIF11SLC6A1
SCHEMBL992027 0.83 KIF11 (0.42) NR3C2ALDH1A1HTTLMNAKIF11
Tetraethylene Glycol SCHEMBL2385287 0.81 ALDH1A1 (0.39) NR3C2ALDH1A1HTTLMNATDP1
SCHEMBL2494552 0.80 KIF11 (0.42) NR3C2ALDH1A1HTTLMNAKIF11
SCHEMBL15841458 0.78 ALDH1A1 (0.42) NR3C2TK2ALDH1A1HTTLMNA
SCHEMBL1260567 0.78 ALDH1A1 (0.42) NR3C2TK2ALDH1A1HTTLMNA
SCHEMBL2491447 0.78 KIF11 (0.40) NR3C2TK2ALDH1A1HTTLMNA
SCHEMBL2491593 0.74 CA1 (0.41) ALDH1A1LMNAHSD17B10L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011097092-A2 SOLID-SUPPORTED ETHER DISULFIDES BERRY AND ASSOCIATES, INC. (US) 2011-08-11 WO disclosed
US-20110190485-A1 SOLID-SUPPORTED ETHER DISULFIDES BERRY AND ASSOCIATES, INC. (US) 2011-08-04 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 (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-20110190485-A1 SOLID-SUPPORTED ETHER DISULFIDES NSUN3, NSUN2, SNRPA1 NR3C2 381/4885BCHE 4477/4885ACHE 4027/4885

“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.