SCHEMBL12018901

SCHEMBL12018901

CC(C)(C)C(=O)Oc1ccc2c(c1)Oc1cc(OC(=O)C(C)(C)C)ccc1C2(OC=O)c1ccc(C(=O)NCCCCCC(=O)NCCOCCOCCCCCCCl)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.34
▸ HDAC3 O15379 5/20 0.34
▸ HDAC1 Q13547 5/20 0.34
▸ HDAC4 P56524 3/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC10 Q969S8 3/20 0.34
▸ HDAC11 Q96DB2 3/20 0.34
▸ HDAC8 Q9BY41 3/20 0.34
▸ HDAC9 Q9UKV0 3/20 0.34
▸ HDAC5 Q9UQL6 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL12018903 0.93 GAA (0.34) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL16503905 0.87 LMNA (0.33) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL12925030 0.86 MAPT (0.40) HDAC3SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL14330482 0.86 HDAC3 (0.33) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL4403236 0.84 GSTP1 (0.45) HDAC6MAPTKMT2AMEN1ALDH1A1
SCHEMBL4437789 0.84 HPGD (0.40) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL15976894 0.84 HDAC3 (0.33) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL12671652 0.83 HDAC6 (0.33) HDAC6HDAC3HDAC1HDAC4HDAC7
SCHEMBL4403233 0.83 GSTP1 (0.41) HDAC6MAPTKMT2AMEN1ALDH1A1
SCHEMBL16153101 0.82 HDAC6 (0.33) HDAC6HDAC3HDAC1HDAC4HDAC7

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-20120220013-A1 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS AND SUBSTRATES THEREFOR PROMEGA CORPORATION (US) 2012-08-30 — — US disclosed
US-RE42931-E1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION (US) 2011-11-15 — — US disclosed
US-7867726-B2 Compositions comprising a dehalogenase substrate and a fluorescent label and methods of use PROMEGA CORPORATION (US) 2011-01-11 — — US disclosed
US-7429472-B2 Method of immobilizing a protein or molecule via a mutant dehalogenase that is bound to an immobilized dehalogenase substrate and linked directly or indirectly to the protein or molecule PROMEGA CORPORATION 2008-09-30 — — US disclosed
US-20080026407-A1 Covalent tethering of functional groups to proteins PROMEGA CORPORATION 2008-01-31 — — 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-20080026407-A1 Covalent tethering of functional groups to proteins GGT1, HDHD5, DNPH1 HDAC6 1560/4885HDAC3 2536/4885HDAC1 2263/4885

“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.

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