SCHEMBL13645801

SCHEMBL13645801

CCCC(=O)C(=O)N(C)CC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.52
CES2 O00748 7/20 0.52
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
FFAR3 O14843 3/20 0.42
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL13645779 0.79 TDP1 (0.33) CES1CES2FFAR3ALDH1A1
SCHEMBL17704771 0.78 CHRM1 (0.36) FFAR3TSHRALDH1A1CA1
SCHEMBL792559 0.74
Ethane SCHEMBL28379224 0.72 ALDH1A1 (0.42) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL29977576 0.72 ALDH1A1 (0.33) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL108642 0.71 CES1 (1.00) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL14269727 0.70 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL209469 0.70
SCHEMBL18211201 0.70
SCHEMBL22591356 0.70

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-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 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-20090264496-A1 Compounds, Compositions and Methods for Making the Same PPP2CA, PPP4C, PPP6C CES1 2202/4885CES2 2237/4885HDAC3 196/4885

“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.