SCHEMBL19161125

SCHEMBL19161125

O=C(/C=C/c1ccc(Cn2c3c(c4ccccc42)CCN2C(=O)CCCC32)cc1)CO

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 17/20 0.81
▸ HDAC2 Q92769 9/20 0.81
▸ HDAC8 Q9BY41 7/20 0.81
▸ TBXA2R P21731 1/20 0.44
▸ PTGDR Q13258 1/20 0.44
▸ HDAC1 Q13547 8/20 0.43
▸ HDAC10 Q969S8 5/20 0.38
▸ HDAC4 P56524 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL19139015 0.91 HDAC6 (0.84) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL19138945 0.91 HDAC6 (0.84) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL17500260 0.90 HDAC6 (1.00) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL19161134 0.87 HDAC6 (0.77) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL24011765 0.87 HDAC6 (0.76) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL19138888 0.83 HDAC6 (0.81) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL19138997 0.82 HDAC6 (0.76) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL17500240 0.82 HDAC6 (1.00) HDAC6HDAC2HDAC8HDAC1HDAC10
SCHEMBL17520608 0.81 HDAC2 (0.73) HDAC6HDAC2HDAC8TBXA2RPTGDR
SCHEMBL19162216 0.78 HDAC6 (0.73) HDAC6HDAC2HDAC8TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 — — 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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 HDAC6 1/4885HDAC2 6/4885HDAC8 10/4885

“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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