SCHEMBL17775403

SCHEMBL17775403

CCC(CCC(C)=O)(C(C)=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
GAA P10253 1/20 0.34
CES2 O00748 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
ACHE P22303 1/20 0.31
PAOX Q6QHF9 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
SCHEMBL17767286 0.89 ALDH1A1 (0.38) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL17767284 0.89 ALDH1A1 (0.38) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL1406314 0.87 ALDH1A1 (0.50) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL2851364 0.83 ALDH1A1 (0.41) ALDH1A1TDP1LMNASLC15A2MEN1
SCHEMBL29271678 0.80 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL31016295 0.78 ALDH1A1 (0.41) ALDH1A1LMNASLC15A2GAAACHE
SCHEMBL1406644 0.78 ALDH1A1 (0.41) ALDH1A1TDP1LMNAGAACES2
SCHEMBL17779668 0.76 ALDH1A1 (0.44) ALDH1A1TDP1LMNACES2MEN1
SCHEMBL1406218 0.76 CYP1A2 (0.44) ALDH1A1TDP1LMNAGAAMEN1
SCHEMBL29271676 0.76 MEN1 (0.47) ALDH1A1LMNAGAAMEN1CYP1A2

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-20160145273-A1 PRECATALYST FOR SHIBASAKI'S RARE EARTH METAL BINOLATE CATALYSTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2016-05-26 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-20160145273-A1 PRECATALYST FOR SHIBASAKI'S RARE EARTH METAL BINOLATE CATALYSTS TBCB, RUVBL2, RHEB ALDH1A1 3983/4885TDP1 4305/4885LMNA 3815/4885

“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.