SCHEMBL10073918

SCHEMBL10073918

CCCCCCC1CC1(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CPB2 Q96IY4 2/20 0.33
TP53 P04637 1/20 0.32
EPHX2 P34913 2/20 0.32
CES2 O00748 2/20 0.32
PRKCA P17252 1/20 0.32
DNTT P04053 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CYP2C19 P33261 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL10073917 0.94 SPHK1 (0.36) SPHK1ALDH1A1CPB2GPR119
SCHEMBL29187859 0.88 CYP4F2 (0.41) SPHK1CPB2EPHX2GPR119
SCHEMBL29187860 0.88 CYP4F2 (0.41) SPHK1CPB2EPHX2GPR119
SCHEMBL30158917 0.88 CYP4F2 (0.41) SPHK1CPB2EPHX2GPR119
SCHEMBL30159122 0.84 ALOX5 (0.33) ALOX5ALDH1A1POLBL3MBTL1CPB2
SCHEMBL13123340 0.80 NR1H2 (0.33) SPHK1EPHX2
SCHEMBL12033287 0.80 NR1H2 (0.33) SPHK1EPHX2
SCHEMBL13642174 0.80 ALDH1A1 (0.39) ALOX5ALDH1A1POLBL3MBTL1CPB2
SCHEMBL29188007 0.77 NR1H2 (0.39) EPHX2
SCHEMBL29188005 0.77 NR1H2 (0.39) EPHX2

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 3516/4885ALOX5 1404/4885ALDH1A1 454/4885

“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.