SCHEMBL10078895

SCHEMBL10078895

CC(=O)COCC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 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
SCHEMBL10060469 0.89 ALDH1A1 (0.30) ALDH1A1TDP1TSHR
SCHEMBL24607182 0.89 CES2 (0.45) CES2ALDH1A1TDP1TSHR
SCHEMBL25654227 0.89 CES2 (0.45) CES2ALDH1A1TDP1TSHR
SCHEMBL137776 0.81
SCHEMBL10212353 0.80 PTGS1 (0.37) ALDH1A1TSHR
SCHEMBL26724964 0.79 CES2 (0.45) CES2ALDH1A1TDP1
SCHEMBL13542695 0.79 MEN1 (0.37) CES2ALDH1A1TDP1TSHR
SCHEMBL29866183 0.78 CES2 (0.50) CES2ALDH1A1TDP1TSHR
Water SCHEMBL10891347 0.78 CES2 (0.50) CES2ALDH1A1TDP1TSHR
Water SCHEMBL7571126 0.78 CES2 (0.50) CES2ALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395525-A1 THERAPEUTIC DENDRIMER STARPHARMA PTY LTD. (AU) 2022-12-15 US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 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 (2 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-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 CES2 4805/4885ALDH1A1 3380/4885TDP1 370/4885
US-20220395525-A1 THERAPEUTIC DENDRIMER DCK, PAICS, SAMHD1 CES2 2727/4885ALDH1A1 1769/4885TDP1 732/4885

“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.