SCHEMBL1004845

SCHEMBL1004845

Cc1ccc(C(=O)N(C)C)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 3/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 2/20 0.45
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45
CFTR P13569 1/20 0.43
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 1/20 0.39
MAP4K1 Q92918 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL3806699 0.85 MAPT (0.51) ALDH1A1ALOX15HSD17B10SMN1; SMN2TDP1
SCHEMBL6585743 0.82 ALOX15 (0.52) ALDH1A1ALOX15HSD17B10SMN1; SMN2CYP3A4
SCHEMBL11693102 0.81 SMN1; SMN2 (0.39) ALDH1A1ALOX15HSD17B10SMN1; SMN2TDP1
SCHEMBL16994749 0.80 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2TDP1TP53HTT
SCHEMBL16095953 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15SMN1; SMN2CFTRHTT
SCHEMBL3814770 0.79 ABL1 (0.59) ALDH1A1ALOX15HSD17B10SMN1; SMN2TDP1
SCHEMBL3811988 0.79 KEAP1 (0.47) ALDH1A1CFTRHTTNPC1MAP4K1
SCHEMBL4385594 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10SMN1; SMN2TDP1
SCHEMBL283554 0.78 CSNK2A1 (0.55) ALDH1A1ALOX15HSD17B10SMN1; SMN2TDP1
SCHEMBL160721 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10SMN1; SMN2TDP1

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 ALDH1A1 1816/4885ALOX15 799/4885HSD17B10 2934/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B ALDH1A1 1816/4885ALOX15 799/4885HSD17B10 2934/4885

“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.