SCHEMBL10073917

SCHEMBL10073917

CCCCC1CC1(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.36
CPB2 Q96IY4 2/20 0.34
GPR119 Q8TDV5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ELANE P08246 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL10073918 0.94 SPHK1 (0.39) SPHK1CPB2GPR119ALDH1A1
SCHEMBL30158917 0.84 CYP4F2 (0.41) SPHK1CPB2GPR119
SCHEMBL29187860 0.84 CYP4F2 (0.41) SPHK1CPB2GPR119
SCHEMBL29187859 0.84 CYP4F2 (0.41) SPHK1CPB2GPR119
SCHEMBL30159122 0.83 ALOX5 (0.33) CPB2ALDH1A1KMT2A
SCHEMBL12033287 0.83 NR1H2 (0.33) SPHK1KMT2A
SCHEMBL13330148 0.83 NR1H2 (0.33) SPHK1KMT2A
SCHEMBL13123340 0.83 NR1H2 (0.33) SPHK1KMT2A
SCHEMBL29188005 0.80 NR1H2 (0.39) KMT2A
SCHEMBL29188007 0.80 NR1H2 (0.39) KMT2A

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 SPHK1 3516/4885CPB2 632/4885GPR119 4573/4885

“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.