SCHEMBL1003490

SCHEMBL1003490

COc1cc(C(F)(F)F)ccc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2C19 P33261 2/20 0.53
USP2 O75604 1/20 0.53
GPR52 Q9Y2T5 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CES2 O00748 2/20 0.46
PARP15 Q460N3 3/20 0.46
PARP10 Q53GL7 2/20 0.46
MAPT P10636 1/20 0.45
SLC6A9 P48067 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL29617695 0.87 CFTR (0.50) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4638408 0.87 CFTR (0.50) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL422034 0.85 ALDH1A1 (0.71) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10212180 0.85 NR1H4 (0.51) ALDH1A1KDM4EHPGDRAB9AMKNK1
SCHEMBL20384958 0.85 KDM4E (0.58) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15743761 0.84 KDM4E (0.75) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24901813 0.83 CFTR (0.67) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL426613 0.83 KDM4E (0.53) CFTRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30553109 0.83 SCN8A (0.61) KDM4ERAB9APARP15PARP10MAPT
SCHEMBL5420973 0.81 AVPR2 (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP2C19

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
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO 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 CFTR 1766/4885ALDH1A1 1816/4885KDM4E 4735/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B CFTR 1766/4885ALDH1A1 1816/4885KDM4E 4735/4885

“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.