SCHEMBL10073915

SCHEMBL10073915

CC(C)(C)OC(=O)C1(C)CC1CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.41
STS P08842 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
ABCB1 P08183 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL23971063 0.82 L3MBTL1 (0.40) STSCTSSL3MBTL1CYP3A4
SCHEMBL30158859 0.82 L3MBTL1 (0.40) STSCTSSL3MBTL1CYP3A4
SCHEMBL29187851 0.82 L3MBTL1 (0.40) STSCTSSL3MBTL1CYP3A4
SCHEMBL10073881 0.81 CTSS (0.41) SIGMAR1CA12CA1CA7CA14
SCHEMBL10073884 0.81 POLB (0.35) STSSIGMAR1CA12CA1CA7
SCHEMBL545682 0.79 KMT2A (0.34) STSSIGMAR1CA12CA1CA7
SCHEMBL544830 0.77 MAPK1 (0.44)
SCHEMBL20006341 0.75 FFAR4 (0.43) FFAR4KMT2ACYP3A4GAA
SCHEMBL10073917 0.74 SPHK1 (0.36) KMT2AGPR119
SCHEMBL30159122 0.73 ALOX5 (0.33) KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA FFAR4 2271/4885STS 2340/4885SIGMAR1 905/4885

“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.