SCHEMBL1003689

SCHEMBL1003689

NC(=O)c1c(Br)cc(Br)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PARP1 P09874 2/20 0.41
MAP2K1 Q02750 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
DGAT1 O75907 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
ERN1 O75460 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4047607 0.84 DGAT1 (0.50) TSHRCYP3A4TDP1PARP1MAP2K1
SCHEMBL6894637 0.80 PARP1 (0.43) TSHRPARP1MAP2K1DGAT1MAPT
SCHEMBL4908339 0.76 CYP3A4 (0.46) TSHRCYP3A4TDP1AKR1C4AKR1C3
SCHEMBL1884074 0.76 AKR1C3 (0.54) TSHRCYP3A4TDP1AKR1C4AKR1C3
SCHEMBL27623475 0.75 NMT1 (0.40) PARP1MAP2K1DGAT1MAPTMEN1
SCHEMBL1104463 0.75 POLB (0.48) CYP3A4PARP1MAP2K1DGAT1MAPT
SCHEMBL1317647 0.75 DGAT1 (0.55) PARP1MAP2K1DGAT1MAPTMEN1
SCHEMBL6894587 0.75 FABP3 (0.44) TSHRMAP2K1GABRA1GABRB2POLB
SCHEMBL967328 0.74 CYP3A4 (0.43) TSHRCYP3A4TDP1AKR1C4AKR1C3
SCHEMBL10497731 0.74 CYP3A4 (0.43) TSHRCYP3A4TDP1AKR1C4AKR1C3

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 TSHR 4283/4885CYP3A4 1916/4885TDP1 3541/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B TSHR 4283/4885CYP3A4 1916/4885TDP1 3541/4885

“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.