SCHEMBL7370423

SCHEMBL7370423

CC(C)(C)OC(=O)C(CCCCCO)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
CYP4F2 P78329 4/20 0.41
CYP4A11 Q02928 4/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
LMNA P02545 1/20 0.33
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
ACHE P22303 6/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL23009823 0.92 KMT2A (0.39) TDP1KMT2AMEN1GAALMNA
SCHEMBL27745858 0.91 TDP1 (0.45) TDP1CYP4F2CYP4A11KMT2AMEN1
SCHEMBL27745855 0.91 TDP1 (0.45) TDP1CYP4F2CYP4A11KMT2AMEN1
SCHEMBL27740560 0.90 TDP1 (0.40) TDP1CYP4F2CYP4A11KMT2AMEN1
SCHEMBL27740626 0.90 TDP1 (0.40) TDP1CYP4F2CYP4A11KMT2AMEN1
SCHEMBL17377641 0.85 ZDHHC7 (0.46) GPR84FFAR1
SCHEMBL8490442 0.85 ZDHHC7 (0.46) GPR84FFAR1
SCHEMBL4955226 0.84 TDP1 (0.41) TDP1KMT2AMEN1GAALMNA
SCHEMBL16543607 0.83 MEN1 (0.34) TDP1KMT2AMEN1GAANOS1
SCHEMBL27493572 0.83 TDP1 (0.47) TDP1CYP4F2CYP4A11KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO 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-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 TDP1 519/4885CYP4F2 1705/4885CYP4A11 1939/4885

“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.