SCHEMBL7365330

SCHEMBL7365330

O=C(CCCCCCC(=O)C(F)(F)F)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 3/20 0.52
NPSR1 Q6W5P4 1/20 0.49
HSD11B1 P28845 1/20 0.44
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
FAAH O00519 5/20 0.42
CES1 P23141 4/20 0.42
CES2 O00748 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL1193777 0.79 L3MBTL1 (0.64) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10
SCHEMBL25359614 0.76 L3MBTL1 (0.64) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10
SCHEMBL1193302 0.73 L3MBTL1 (0.60) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10
SCHEMBL12344537 0.72 L3MBTL1 (1.00) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10
SCHEMBL25358145 0.72 L3MBTL1 (0.68) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10
SCHEMBL9744305 0.72 L3MBTL1 (0.68) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10
SCHEMBL9743896 0.72 L3MBTL1 (0.73) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10
SCHEMBL27451035 0.71 L3MBTL1 (0.61) L3MBTL1EPHX2NPSR1FAAH
SCHEMBL14503294 0.71 L3MBTL1 (0.52) L3MBTL1EPHX2HSD11B1KMT2AHSD17B10
SCHEMBL15224188 0.70 L3MBTL1 (0.66) L3MBTL1EPHX2NPSR1HSD11B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US claimed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 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 (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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 L3MBTL1 2415/4885EPHX2 3092/4885NPSR1 4353/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 L3MBTL1 2041/4885EPHX2 3982/4885NPSR1 4129/4885

“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.