SCHEMBL1003369

SCHEMBL1003369

CCN(CC)C(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.69
KMT2A Q03164 2/20 0.69
LMNA P02545 2/20 0.69
MEN1 O00255 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 3/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MLYCD O95822 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 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
SCHEMBL7217103 0.84 HPGD (0.56) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL13969459 0.84 HPGD (0.51) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL13946491 0.82 HSP90AA1 (0.53) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3631286 0.79 OPRM1 (0.55) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL31453523 0.77 CRHR1 (0.49) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL3741746 0.77 HPGD (0.67) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL1004853 0.76 HPGD (0.46) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL1002896 0.75 CRHR1 (0.48) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL509845 0.75 HPGD (0.58) HPGDKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL23648028 0.74 HPGD (0.50) HPGDKMT2ALMNAMEN1SMN1; SMN2

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 14 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
US-7829741-B2 Process for producing α, α-difluoroamine NATIONAL UNIVERSITY CORPORATION (JP) 2010-11-09 US disclosed
EP-2157078-A1 Fluorine compound and fluorinating agent comprising the compound Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-24 EP disclosed
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE NATIONAL UNIVERSITY CORPORATION, HOKKAIDO UNIVERSITY (JP) 2009-07-09 US disclosed
EP-1422216-B1 FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND MITSUBISHI GAS CHEMICAL CO (JP) 2009-01-07 EP disclosed
US-7297821-B2 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-11-20 US disclosed
EP-1813596-A1 PROCESS FOR PRODUCING ALPHA, ALPHA- DIFLUOROAMINE National University Corporation Hokkaido University (JP) 2007-08-01 EP disclosed
US-20060089513-A1 Fluorine compound and fluorinating agent comprising the compound HIDAKA TOSHIO 2006-04-27 US disclosed
US-7019173-B2 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-03-28 US disclosed
EP-1422216-A1 FLUORINE COMPOUND AND FLUORINATING AGENT COMPRISING THE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-05-26 EP disclosed
US-20040073065-A1 Fluorine compound and fluorinating agent comprising the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-04-15 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 (5 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 HPGD 3260/4885KMT2A 3578/4885LMNA 4185/4885
US-20060089513-A1 Fluorine compound and fluorinating agent comprising the compound AFF1, AFF2, RER1 HPGD 4000/4885KMT2A 677/4885LMNA 4207/4885
US-20040073065-A1 Fluorine compound and fluorinating agent comprising the compound AFF1, RER1, AFF2 HPGD 4060/4885KMT2A 593/4885LMNA 4173/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B HPGD 3260/4885KMT2A 3578/4885LMNA 4185/4885
US-20090177012-A1 PROCESS FOR PRODUCING ALPHA, ALPHA-DIFLUOROAMINE FUCA1, FUCA2, DBH HPGD 1246/4885KMT2A 731/4885LMNA 4155/4885

“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.