SCHEMBL1004064

SCHEMBL1004064

CNC(=O)c1cc(F)c(C)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.70
HDAC1 Q13547 3/20 0.70
GAA P10253 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC2 Q92769 1/20 0.43
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLK1 P53350 4/20 0.39
THRB P10828 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PLAU P00749 1/20 0.38
CA2 P00918 1/20 0.37
RPS6KA3 P51812 1/20 0.37
ACSS2 Q9NR19 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
SCHEMBL23183311 0.90 HDAC6 (0.58) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL7981473 0.84 CES2 (0.56) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL21783935 0.81 HDAC6 (0.68) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL6364562 0.79 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2HPGD
SCHEMBL15495188 0.79 GAA (0.48) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL38657509 0.79 HDAC1 (0.47) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL29055361 0.79 HDAC6 (0.46) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL1001989 0.78 HDAC6 (0.44) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL4478521 0.78 HDAC8 (0.60) HDAC6HDAC8HDAC2HPGDTSHR
SCHEMBL13828748 0.78 ALDH1A1 (0.56) HDAC6HDAC1GAAHPGDTSHR

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-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B HDAC6 4094/4885HDAC1 3902/4885GAA 4868/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HDAC6 4094/4885HDAC1 3902/4885GAA 4868/4885

“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.