SCHEMBL3676070

SCHEMBL3676070

COc1cc(C(C)(C)C)c(OC)c(C(C)(C)C2([Si](C)(C)C)C=Cc3ccccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TNFRSF1A P19438 2/20 0.32
PTGS2 P35354 2/20 0.30
PTGS1 P23219 1/20 0.30
PDK2 Q15119 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
SCHEMBL3680924 0.91 TNFRSF1A (0.32) TNFRSF1APTGS2PTGS1
SCHEMBL3677164 0.90 TNFRSF1A (0.31) TNFRSF1APTGS2PTGS1
SCHEMBL3676585 0.87
SCHEMBL3683596 0.81 NPSR1 (0.31)
SCHEMBL3675851 0.80
SCHEMBL3676970 0.78 CASR (0.33) CA1CA2PDK2
SCHEMBL7781719 0.70 OXTR (0.30)
SCHEMBL22360314 0.68 CA1 (0.64) CA1CA2TNFRSF1APTGS2PTGS1
SCHEMBL5090664 0.64 CA1 (0.34) CA1CA2TNFRSF1A
SCHEMBL3676072 0.63 CA1 (0.33) CA1CA2TNFRSF1APTGS2PTGS1

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-1785429-B1 PROCESS FOR PRODUCING METALLOCENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-10-03 EP disclosed
US-7652159-B2 Process for producing metallocene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20080319213-A1 Process For Producing Metallocene Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 US disclosed
EP-1785429-A1 PROCESS FOR PRODUCING METALLOCENE COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-05-16 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-20080319213-A1 Process For Producing Metallocene Compound H1-10, CNOT9, H1-4 CA1 759/4885CA2 2089/4885TNFRSF1A 1931/4885

“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.