SCHEMBL4912181

SCHEMBL4912181

COC(=O)OCCC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EGFR P00533 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL607857 0.87 ALDH1A1 (0.41) EGFR
SCHEMBL25906795 0.86 CA1 (0.35) CA1CA2
SCHEMBL12301913 0.82 ALDH1A1 (0.33) CA1CA2SMN1; SMN2
SCHEMBL2893566 0.79 SLC13A3 (0.38) CA1CA2SMN1; SMN2
SCHEMBL16482858 0.79 TET2 (0.35) EGFR
SCHEMBL47896 0.79 SMN1; SMN2 (0.41) CA1CA2SMN1; SMN2
SCHEMBL15085760 0.79 CA1 (0.33) CA1CA2
SCHEMBL14213757 0.79 POLB (0.34)
SCHEMBL6429925 0.78 MGAM (0.46) EGFR
SCHEMBL5965099 0.77 ALDH1A1 (0.33)

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
US-20080161394-A1 Cosmetic composition comprising at least one volatile carbonic acid ester L'OREAL S.A. (FR) 2008-07-03 US claimed
US-20140081012-A1 NANOPARTICLE, LIPOSOMES, POLYMERS, AGENTS AND PROTEINS MODIFIED WITH REVERSIBLE LINKERS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-03-20 US disclosed
US-20080161394-A1 Cosmetic composition comprising at least one volatile carbonic acid ester L'OREAL S.A. (FR) 2008-07-03 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-20140081012-A1 NANOPARTICLE, LIPOSOMES, POLYMERS, AGENTS AND PROTEINS MODIFIED WITH REVERSIBLE LINKERS HLCS, LNPK, LNPEP CA1 3480/4885CA2 4339/4885EGFR 790/4885

“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.