SCHEMBL2236626

SCHEMBL2236626

COc1cccc(-c2c(C)ccc3c2C=C(c2ccc(C)o2)C3[Zr](Cl)(Cl)(C2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2cccc(OC)c2)=[Si](C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GSK3B P49841 1/20 0.38
SLC9A1 P19634 1/20 0.34
KCNA3 P22001 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PLA2G1B P04054 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
SCHEMBL2234332 0.92 MEN1 (0.34) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL17096557 0.91 MAPT (0.41) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2233441 0.89 GSK3B (0.33) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2236098 0.89 SMN1; SMN2 (0.39) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL2239245 0.88 SLC9A1 (0.31) SLC9A1
SCHEMBL2384986 0.87 SLC9A1 (0.33) ALDH1A1SLC9A1CYP1A2
SCHEMBL2234457 0.87 PTGS1 (0.35) ADORA3ADORA2AADORA1
SCHEMBL2235836 0.87
SCHEMBL2236623 0.86
SCHEMBL2235919 0.85 PTGS1 (0.34) MAPTKMT2AMEN1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360163-B1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN JAPAN POLYPROPYLENE CORP (JP) 2014-06-25 EP disclosed
US-8461365-B2 Metallocene complex and polymerization method of olefin JAPAN POLYPROPYLENE CORPORATION (JP) 2013-06-11 US disclosed
US-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN JAPAN POLYPROPYLENE CORPORATION (JP) 2011-09-22 US disclosed
EP-2360163-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN Japan Polypropylene Corporation (JP) 2011-08-24 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-20110230622-A1 METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN ALOX12, ALOX15, ALOX15B MAPT 2838/4885KMT2A 3247/4885NPC1 1170/4885

“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.