SCHEMBL10073884

SCHEMBL10073884

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 2/20 0.34
CYP3A4 P08684 1/20 0.34
SLC1A2 P43004 1/20 0.34
AKT1 P31749 2/20 0.33
STS P08842 1/20 0.33
RECQL P46063 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL10073915 0.81 FFAR4 (0.41) SIGMAR1CA12CA1CA7CA14
SCHEMBL10073881 0.78 CTSS (0.41) SIGMAR1CA12CA1CA7CA14
SCHEMBL545682 0.76 KMT2A (0.34) SIGMAR1CA12CA1CA7CA14
SCHEMBL20006100 0.75 CA12 (0.43) POLBSIGMAR1CA12CA1CA7
SCHEMBL544830 0.74 MAPK1 (0.44) RECQL
SCHEMBL8984681 0.72 CA12 (0.36) POLBSIGMAR1CA12CA1CA7
SCHEMBL5899598 0.69 TAAR1 (0.40)
SCHEMBL5899766 0.68 TAAR1 (0.45) SLC6A2SLC6A4
SCHEMBL5899630 0.68 EPHX2 (0.42) KMT2ASLC6A2SLC1A2SLC6A4
SCHEMBL2394954 0.67 ALDH1A1 (0.43) CA12CA1KMT2AL3MBTL1SLC6A2

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 POLB 339/4885SIGMAR1 905/4885CA12 2068/4885

“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.