SCHEMBL1003974

SCHEMBL1003974

Cc1cc(C)c(C)c(C(=O)N(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
HPGD P15428 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL1005887 0.81 NPSR1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5243011 0.80 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8746549 0.78 KMT2A (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30739443 0.77 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2A
SCHEMBL29157552 0.77 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2A
SCHEMBL13596324 0.76 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL1259082 0.76 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ACA1
SCHEMBL1259080 0.76 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL1004853 0.76 HPGD (0.46) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16994749 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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 KDM4E 4735/4885ALDH1A1 1816/4885SMN1; SMN2 1017/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B KDM4E 4735/4885ALDH1A1 1816/4885SMN1; 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.