SCHEMBL678600

SCHEMBL678600

C=C(C)C(=O)OCC12CC3CC(C1)CC(C(=O)OC)(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RXFP1 Q9HBX9 1/20 0.36
ABL1 P00519 1/20 0.35
TSHR P16473 1/20 0.35
RIN1 Q13671 1/20 0.35
LMNA P02545 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL678250 0.88 ALDH1A1 (0.35) ALDH1A1NPSR1PKMMEN1KMT2A
SCHEMBL679973 0.86 ALDH1A1 (0.55) ALDH1A1NPSR1PKMMEN1KMT2A
SCHEMBL1696545 0.86 ALDH1A1 (0.47) ALDH1A1NPSR1PKMMEN1KMT2A
SCHEMBL684276 0.86 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL16329438 0.84 NPSR1 (0.39) ALDH1A1NPSR1PKMMEN1KMT2A
SCHEMBL678290 0.84 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13963897 0.83 NPSR1 (0.38) ALDH1A1NPSR1PKMMEN1KMT2A
SCHEMBL677902 0.83 MEN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL677148 0.83 ALDH1A1 (0.34) ALDH1A1NPSR1MEN1KMT2AL3MBTL1
SCHEMBL12376770 0.82 NPSR1 (0.43) ALDH1A1NPSR1PKMMEN1KMT2A

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 ALDH1A1 1542/4885NPSR1 2986/4885PKM 554/4885

“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.