SCHEMBL1004027

SCHEMBL1004027

Cc1cc(C)cc(C(=O)NCC(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
KMT2A Q03164 2/20 0.62
HSD17B10 Q99714 1/20 0.62
HPGD P15428 3/20 0.56
MLYCD O95822 1/20 0.51
KDM4E B2RXH2 3/20 0.51
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
MAPK14 Q16539 1/20 0.44
TPMT P51580 1/20 0.43

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
SCHEMBL2908793 0.88 HSD17B10 (0.78) GAAKMT2AHSD17B10HPGDMLYCD
SCHEMBL15726943 0.85 KMT2A (0.51) GAAKMT2AHSD17B10HPGDMLYCD
SCHEMBL13044612 0.84 ATM (0.48) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL1753831 0.82 KMT2A (0.81) GAAKMT2AHSD17B10HPGDKDM4E
SCHEMBL178516 0.81 MLYCD (0.65) GAAKMT2AHSD17B10HPGDMLYCD
SCHEMBL17865783 0.79 MLYCD (0.73) GAAKMT2AHSD17B10HPGDMLYCD
SCHEMBL8432669 0.79 POLB (0.62) GAAKMT2AKDM4ELMNAPOLB
SCHEMBL184399 0.79 HSD17B10 (0.66) GAAKMT2AHSD17B10HPGDMLYCD
SCHEMBL20206991 0.79 GAA (0.61) GAAKMT2AHSD17B10HPGDMLYCD
SCHEMBL19112863 0.79 GAA (0.45) GAAKMT2AHSD17B10KDM4ETAS1R3

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 GAA 4868/4885KMT2A 3578/4885HSD17B10 2934/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B GAA 4868/4885KMT2A 3578/4885HSD17B10 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.