SCHEMBL2236002

SCHEMBL2236002

COc1cccc(-c2c(C)ccc3c2C=C(c2occ4ccccc24)C3[Zr](Cl)(Cl)(C2C(c3occ4ccccc34)=Cc3c2ccc(C)c3-c2cccc(OC)c2)=[Si](C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.34
ALOX5 P09917 1/20 0.34
GPR84 Q9NQS5 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ADORA2A P29274 1/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP1B1 Q16678 2/20 0.31
HTR6 P50406 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30
F2 P00734 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
SCHEMBL2235558 0.94 CASP3 (0.30)
SCHEMBL2235207 0.92 EGFR (0.31) ALOX5SMN1; SMN2ALDH1A1HPGD
SCHEMBL2236103 0.90 ALOX5 (0.35) KCNA3ALOX5GPR84MMP2MMP9
SCHEMBL2234896 0.89 IKBKB (0.31)
SCHEMBL2235177 0.89 L3MBTL1 (0.30)
SCHEMBL2234338 0.89
SCHEMBL2234452 0.89
SCHEMBL2238821 0.87
SCHEMBL2234235 0.86 FFAR1 (0.30)
SCHEMBL2237749 0.86

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 KCNA3 3488/4885ALOX5 31/4885GPR84 3793/4885

“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.