SCHEMBL677957

SCHEMBL677957

C=C(C)C(=O)OCC12CC3CC(C)(CC(C#N)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.31
THRB P10828 1/20 0.31
SCN9A Q15858 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL677140 0.91 ALDH1A1 (0.36) MEN1KMT2AALDH1A1THRBTSHR
SCHEMBL678371 0.86 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL678030 0.85 ALDH1A1 (0.32) DPP4ALDH1A1THRBTSHR
SCHEMBL680958 0.83 ALDH1A1 (0.36) ALDH1A1
SCHEMBL677911 0.82 MEN1 (0.36) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL678418 0.82 ALDH1A1 (0.38) MEN1KMT2AALDH1A1THRBTSHR
SCHEMBL677975 0.82 THRB (0.35) ALDH1A1THRBTSHR
SCHEMBL678386 0.82 THRB (0.35) ALDH1A1THRBTSHR
SCHEMBL677906 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL677102 0.81 MEN1 (0.36) MEN1KMT2AGRIN2DGRIN3BGRIN1

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-20110275774-A1 ORGANOANTIMONY COMPOUND, PROCESS FOR PREPARING SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH USE OF SAME, AND THE POLYMER YAMAGO SHIGERU 2011-11-10 US disclosed
US-8008414-B2 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2011-08-30 US disclosed
EP-1767539-B1 ORGANIC ANTIMONY COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER USING THE SAME, AND POLYMER OTSUKA CHEMICAL CO LTD (JP) 2011-07-27 EP disclosed
US-20090299008-A1 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer OTSUKA CHEMICAL CO., LTD. (JP) 2009-12-03 US disclosed
EP-1767539-A1 ORGANIC ANTIMONY COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER USING THE SAME, AND POLYMER OTSUKA CHEMICAL COMPANY, LTD. (JP) 2007-03-28 EP 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-20090299008-A1 Organic antimony compound, process for producing the same, living radical polymerization initiator, process for producing polymer using the same, and polymer AOC2, ODC1, MCM7 MEN1 247/4885KMT2A 1071/4885DPP4 4754/4885

“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.