SCHEMBL1002276

SCHEMBL1002276

CCNC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 4/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.40
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1004037 0.81 ALDH1A1 (0.63) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL4169560 0.80 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL4141231 0.79 L3MBTL1 (0.50) TAS1R3TAS1R1TAS1R2SMN1; SMN2KDM4E
SCHEMBL24574912 0.79 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2CYP1A2CYP2C9
SCHEMBL1003870 0.77 GAA (0.54) TAS1R3TAS1R1TAS1R2SMN1; SMN2KDM4E
SCHEMBL13753819 0.76 KDM4E (0.58) SMN1; SMN2KDM4ELMNAHPGDHTT
SCHEMBL5800687 0.76 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2SMN1; SMN2KDM4E
SCHEMBL354669 0.76 ALDH1A1 (0.52) TAS1R3TAS1R1TAS1R2SMN1; SMN2KDM4E
SCHEMBL10073270 0.75 NR1H4 (0.44) CYP1A2CYP2C9SMN1; SMN2KDM4EKMT2A
SCHEMBL4156165 0.75 SMN1; SMN2 (0.64) TAS1R3TAS1R1TAS1R2SMN1; SMN2KDM4E

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 13 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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
US-7453011-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PROGEN PHARMACEUTICALS, INC. 2007-12-13 US disclosed
US-7235695-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2007-06-26 US disclosed
US-20060030735-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-02-09 US disclosed
US-6982351-B2 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor CELLGATE, INC. (US) 2006-01-03 US disclosed
EP-1453787-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL Biomedical Corporation (US) 2004-09-08 EP disclosed
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor SLIL BIOMEDICAL CORPORATION 2003-10-16 US disclosed
WO-2003050072-A1 CYCLOALKYL SUBSTITUTED POLYAMINES FOR CANCER THERAPY AND METHODS OF SYNTHESIS THEREFOR SLIL BIOMEDICAL CORPORATION (US) 2003-06-19 WO 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 (6 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 TAS1R3 1003/4885TAS1R1 1566/4885TAS1R2 1343/4885
US-20030195377-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR TAS1R3 3904/4885TAS1R1 3468/4885TAS1R2 3722/4885
US-20060030735-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR TAS1R3 3904/4885TAS1R1 3468/4885TAS1R2 3722/4885
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 TAS1R3 2726/4885TAS1R1 2426/4885TAS1R2 2105/4885
US-20070287754-A1 Cycloalkyl substituted polyamines for cancer therapy and methods of synthesis therefor PAICS, DHPS, DHFR TAS1R3 3904/4885TAS1R1 3468/4885TAS1R2 3722/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TAS1R3 1003/4885TAS1R1 1566/4885TAS1R2 1343/4885

“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.