SCHEMBL1003340

SCHEMBL1003340

CNC(=O)c1cc(C)c(OC)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.57
TAS1R3 Q7RTX0 3/20 0.53
TAS1R1 Q7RTX1 3/20 0.53
PLK1 P53350 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
TAS1R2 Q8TE23 2/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP13 P45452 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL1739421 0.82 ALDH1A1 (0.66) ALDH1A1TAS1R3TAS1R1LMNAKDM4E
SCHEMBL6364562 0.81 HDAC6 (0.48) ALDH1A1HPGDPLK1BRD4TSHR
SCHEMBL4143482 0.80 ALDH1A1 (0.77) ALDH1A1HPGDPLK1LMNAPOLB
SCHEMBL13293378 0.79 TAS1R3 (0.52) ALDH1A1TAS1R3TAS1R1LMNAKDM4E
SCHEMBL1739400 0.79 CA1 (0.54) ALDH1A1HPGDTAS1R3TAS1R1LMNA
SCHEMBL11435411 0.79 TUBB4A (0.54) ALDH1A1TAS1R3TAS1R1TSHRHTT
SCHEMBL13828748 0.78 ALDH1A1 (0.56) ALDH1A1HPGDPLK1LMNAKDM4E
SCHEMBL2796551 0.77 LMNA (0.52) ALDH1A1TAS1R3TAS1R1LMNABRD4
SCHEMBL312132 0.77 TPMT (0.55) ALDH1A1HPGDTAS1R3TAS1R1LMNA
SCHEMBL27398256 0.77 HDAC8 (0.45) ALDH1A1HPGDPLK1LMNAKDM4E

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 ALDH1A1 1816/4885HPGD 3260/4885TAS1R3 1003/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B ALDH1A1 1816/4885HPGD 3260/4885TAS1R3 1003/4885

“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.