SCHEMBL1002896

SCHEMBL1002896

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.48
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SPR P35270 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1003141 0.89 CSNK2A2 (0.45) CRHR1HPGDSMN1; SMN2MEN1LMNA
SCHEMBL1004408 0.76 HPGD (0.45) HPGDSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL1004853 0.76 HPGD (0.46) HPGDSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL1003369 0.75 HPGD (0.69) CRHR1HPGDSMN1; SMN2MEN1LMNA
SCHEMBL13306259 0.74 TPMT (0.52) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5427089 0.73 HSD17B1 (0.44) CRHR1HPGDMEN1LMNAKMT2A
SCHEMBL15979606 0.73 RIPK1 (0.43)
SCHEMBL21077963 0.72 CDK4 (0.50) SMN1; SMN2LMNAALDH1A1
SCHEMBL15218744 0.71 HDAC6 (0.44) SMN1; SMN2HDAC6
SCHEMBL12852626 0.70 NAMPT (0.40) CRHR1NPSR1HDAC6

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 CRHR1 3986/4885HPGD 3260/4885SMN1; SMN2 1017/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B CRHR1 3986/4885HPGD 3260/4885SMN1; SMN2 1017/4885

“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.