SCHEMBL6016032

SCHEMBL6016032

C/C=C/COC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
CTSK P43235 2/20 0.41
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ELANE P08246 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 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
SCHEMBL6016036 1.00 HDAC6 (0.41) HDAC6CTSKHDAC1HDAC2HDAC3
SCHEMBL12743336 0.89 HDAC6 (0.41) HDAC6CTSKHDAC1HDAC2HDAC3
SCHEMBL3139219 0.89 HDAC6 (0.41) HDAC6CTSKHDAC1HDAC2HDAC3
SCHEMBL883432 0.89 HDAC6 (0.41) HDAC6CTSKHDAC1HDAC2HDAC3
SCHEMBL4736565 0.83 HDAC6 (0.36) HDAC6CTSKHDAC1HDAC2ELANE
SCHEMBL1598833 0.82 ALDH1A1 (0.41)
SCHEMBL10595745 0.82 ALDH1A1 (0.41)
SCHEMBL789539 0.82 HDAC6 (0.37) HDAC6CTSKHDAC1HDAC2ELANE
SCHEMBL3698014 0.82 HDAC6 (0.37) HDAC6CTSKHDAC1HDAC2ELANE
SCHEMBL16594410 0.82 HDAC6 (0.37) HDAC6CTSKHDAC1HDAC2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646638-A2 11-12 BICYCLIC ERYTHROMYCIN DERIVATIVES Enanta Pharmaceuticals, Inc. (US) 2006-04-19 EP disclosed
WO-2004108745-A2 11-12 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2004-12-16 WO disclosed
WO-2004108746-A2 11-12 BICYCLIC ERYTHROMYCIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2004-12-16 WO disclosed
US-20040254126-A1 11-12 Bicyclic erythromycin derivatives ENANTA PHARMACEUTICALS, INC. 2004-12-16 US disclosed
US-6790835-B1 Bicyclic macrolide derivatives ENANTA PHARMACEUTICALS, INC. 2004-09-14 US disclosed
US-6774115-B1 BACTERICIDES ENANTA PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6765016-B1 11,12-CYCLIZED ERYTHROMYCIN DERIVATIVE BACTERICIDES ENANTA PHARMACEUTICALS, INC. 2004-07-20 US disclosed
US-6716820-B1 BACTERICIDES ENANTA PHARMACEUTICALS, INC. 2004-04-06 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-20040254126-A1 11-12 Bicyclic erythromycin derivatives ABCB11, CYP51A1, CYP2C19 HDAC6 257/4885CTSK 2551/4885HDAC1 381/4885

“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.