SCHEMBL1005002

SCHEMBL1005002

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTK2 Q05397 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
XBP1 P17861 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC2 Q92769 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
AKT1 P31749 1/20 0.39
HDAC4 P56524 1/20 0.39
PLK1 P53350 1/20 0.39
PDK2 Q15119 2/20 0.38

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
SCHEMBL13407792 0.80 TAS1R3 (0.59) HDAC6HDAC8HDAC2TAS1R3TAS1R1
SCHEMBL1004777 0.80 CES2 (0.59) MAPTHTTKDM4ENPSR1HDAC6
SCHEMBL14214023 0.78 CES2 (0.47) MAPTHTTKDM4ERXFP1NPSR1
SCHEMBL27250293 0.78 KIF11 (0.51)
SCHEMBL1002234 0.77 HDAC6 (0.44) CFTRMAPTHTTKDM4ERXFP1
SCHEMBL14214022 0.77 KIF11 (0.55) PTK2HDAC6HDAC8HDAC2TAS1R3
SCHEMBL13870617 0.77 ADCY8 (0.50) MAPTHTTNPSR1HDAC6HDAC8
SCHEMBL21055125 0.77 P4HB (0.46) MAPTHTTNPSR1HDAC6HDAC8
SCHEMBL25795128 0.76 AKT1 (0.50) MAPTHTTNPSR1HDAC6HDAC8
SCHEMBL7981473 0.75 CES2 (0.56) HTTHDAC6HDAC8HDAC2PLK1

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 CFTR 1766/4885POLB 2244/4885PKM 4690/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B CFTR 1766/4885POLB 2244/4885PKM 4690/4885

“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.