SCHEMBL1003426

SCHEMBL1003426

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
KDM4E B2RXH2 2/20 0.62
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NAAA Q02083 2/20 0.53
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.47
MLYCD O95822 1/20 0.46

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
SCHEMBL18902272 0.89 L3MBTL1 (0.71) SMN1; SMN2KDM4EPOLBL3MBTL1NAAA
SCHEMBL1003865 0.89 POLB (0.57) SMN1; SMN2KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL2914113 0.88 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1TSHRHTTNAAA
SCHEMBL8432669 0.86 POLB (0.62) KDM4EPOLBL3MBTL1GAA
SCHEMBL28519980 0.86 MAPT (0.57) SMN1; SMN2KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL20991401 0.85 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EPOLBL3MBTL1TSHR
SCHEMBL8087947 0.84 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1TSHRHTTNAAA
SCHEMBL842634 0.83 SMN1; SMN2 (0.81) SMN1; SMN2L3MBTL1TSHRHTTNAAA
SCHEMBL9979205 0.82 SMN1; SMN2 (0.70) SMN1; SMN2L3MBTL1TSHRHTTNAAA
SCHEMBL178367 0.81 L3MBTL1 (0.87) SMN1; SMN2POLBL3MBTL1TSHRHTT

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 11 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-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 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 (4 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 SMN1; SMN2 1017/4885KDM4E 4735/4885POLB 2244/4885
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885KDM4E 4236/4885POLB 4046/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885KDM4E 4236/4885POLB 4046/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B SMN1; SMN2 1017/4885KDM4E 4735/4885POLB 2244/4885

“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.