SCHEMBL1004004

SCHEMBL1004004

CNC(=O)c1cc(C(C)C)cc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC2 Q92769 1/20 0.43
HPGD P15428 2/20 0.41
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PLK1 P53350 5/20 0.39
BRD4 O60885 1/20 0.39
PLAU P00749 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CA2 P00918 1/20 0.37
KAT6A Q92794 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BCHE P06276 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
SCHEMBL12030869 0.88 TAS1R3 (0.40) HDAC8HDAC6HDAC2HPGDFABP3
SCHEMBL20346989 0.88 CA12 (0.39) HDAC8HDAC6HDAC2HPGDFABP3
SCHEMBL12026617 0.87 CES2 (0.42) HDAC8HDAC6HDAC2HPGDFABP3
SCHEMBL799119 0.84 KMT2A (0.39) HDAC8HDAC6HDAC2HPGDFABP3
SCHEMBL24807366 0.82 KIF11 (0.45) HDAC8HDAC6HDAC2
SCHEMBL25473381 0.81 MLYCD (0.46) HPGDFABP3FABP4ALDH1A1BRD4
SCHEMBL11674056 0.81 KDM4E (0.50) FABP3FABP4HTTSMN1; SMN2ALDH1A1
SCHEMBL276759 0.80 HDAC8 (0.59) HDAC8HDAC6HDAC2HPGDHTT
SCHEMBL25614809 0.80 AKR1C3 (0.46) MMP13
SCHEMBL24809157 0.80 RXRA (0.55) HDAC8HDAC6HDAC2HPGDHTT

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-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
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO 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 HDAC8 4845/4885HDAC6 4094/4885HDAC2 1929/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HDAC8 4845/4885HDAC6 4094/4885HDAC2 1929/4885

“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.