SCHEMBL4459922

SCHEMBL4459922

CC(C)(C)P(C[C@@H]1CCCC[C@H]1CP(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL1734108 1.00 CA1 (0.30) CA1CA2CA4
SCHEMBL1734110 1.00 CA1 (0.30) CA1CA2CA4
SCHEMBL1734982 0.95
SCHEMBL1734984 0.95
SCHEMBL1734007 0.89
SCHEMBL1734006 0.89
SCHEMBL2013433 0.83
SCHEMBL2013432 0.83
SCHEMBL3685985 0.81
SCHEMBL4121863 0.79 CYP1A2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957198-B1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INT UK LTD (GB) 2018-08-22 EP disclosed
US-9334227-B2 Carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2016-05-10 US disclosed
US-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2009-06-25 US 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-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds CBR3, ETFA, ACOX3 CA1 905/4885CA2 916/4885CA4 316/4885

“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.