SCHEMBL354915

SCHEMBL354915

CC(C)(C)C(=O)N[C@H]1CCc2ccc(C(=O)NOC3CCCCO3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HDAC8 Q9BY41 9/20 0.39
HDAC6 Q9UBN7 4/20 0.39
MCHR1 Q99705 1/20 0.38
GSTP1 P09211 1/20 0.38
GSTM2 P28161 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
BRAF P15056 3/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
LCK P06239 1/20 0.38
RET P07949 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
DDR2 Q16832 1/20 0.38

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
SCHEMBL15985126 0.85 MTNR1A (0.40) SMYD3MTNR1AMTNR1BHDAC8HDAC6
SCHEMBL10247034 0.81 SMYD3 (0.53) SMYD3HDAC6GSTP1GSTM2
SCHEMBL355453 0.79 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL354112 0.79 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL354116 0.79 MTNR1A (0.48) MTNR1AMTNR1BHDAC8HDAC6CA1
SCHEMBL354927 0.77 MTNR1A (0.52) MTNR1AMTNR1BHDAC8HDAC6CA1
SCHEMBL1026878 0.76 MELK (0.42) SMYD3HDAC6GSTP1GSTM2
SCHEMBL2278277 0.75 HDAC6 (0.44) HDAC8HDAC6MCHR1GSTP1GSTM2
SCHEMBL2282073 0.75 GSTP1 (0.43) SMYD3GSTP1GSTM2RAF1
SCHEMBL354884 0.74 HDAC8 (0.54) HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SMYD3 1825/4885MTNR1A 1476/4885MTNR1B 944/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 SMYD3 981/4885MTNR1A 1616/4885MTNR1B 1109/4885

“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.