SCHEMBL14596708

SCHEMBL14596708

CC(=O)CCCCCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
HDAC4 P56524 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
FFAR1 O14842 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
SCHEMBL23009823 0.89 KMT2A (0.39) HDAC1HDAC2HDAC6GAAMEN1
SCHEMBL29114057 0.84 FFAR4 (0.42) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL22223431 0.83 TSHR (0.45) GAAMEN1KMT2AALDH1A1
SCHEMBL27851938 0.83 CA2 (0.43) PAOXHDAC1HDAC2HDAC6GAA
SCHEMBL7370423 0.81 TDP1 (0.49) GAAMEN1KMT2ATDP1ACHE
SCHEMBL17377641 0.81 ZDHHC7 (0.46) FFAR1
SCHEMBL8490442 0.81 ZDHHC7 (0.46) FFAR1
SCHEMBL547873 0.81 CYP1A2 (0.44) GAAMEN1KMT2ATDP1ALDH1A1
SCHEMBL11664198 0.81 FFAR4 (0.41) MEN1KMT2ATDP1ALDH1A1FFAR4
SCHEMBL11662437 0.81 FFAR4 (0.41) MEN1KMT2ATDP1ALDH1A1FFAR4

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-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 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-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 PAOX 581/4885HDAC1 3/4885HDAC2 13/4885

“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.