SCHEMBL2238629

SCHEMBL2238629

Cc1cc(C2=Cc3c(ccc(C)c3-c3cccc(Cl)c3)C2[Zr](Cl)(Cl)(C2C(c3cc(C)c(C)o3)=Cc3c2ccc(C)c3-c2cccc(Cl)c2)=[Si](C)C)oc1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
S1PR4 O95977 1/20 0.31
IKBKE Q14164 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL2234367 0.91 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2234286 0.91
SCHEMBL2236625 0.90 SLC9A1 (0.32) SLC9A1ALDH1A1CYP1A2S1PR4
SCHEMBL2384986 0.88 SLC9A1 (0.33) SLC9A1ALDH1A1CYP1A2S1PR4IKBKE
SCHEMBL2234333 0.87 KCNA3 (0.33) SLC9A1ALDH1A1
SCHEMBL2238038 0.87
SCHEMBL2385687 0.87
SCHEMBL2233548 0.87
SCHEMBL2238099 0.87
SCHEMBL2234587 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 SLC9A1 4356/4885ALDH1A1 477/4885CYP1A2 112/4885

“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.