SCHEMBL3584872

SCHEMBL3584872

COC(=O)c1ccc(C=CC(F)(F)F)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NFE2L2 Q16236 3/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
APP P05067 2/20 0.44
CTSL P07711 1/20 0.44
CYP2C9 P11712 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 3/20 0.43
TSHR P16473 2/20 0.43
PTGS2 P35354 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
ALOX15 P16050 2/20 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
SCHEMBL3584869 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2
SCHEMBL3596647 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2
SCHEMBL30417825 1.00 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2
SCHEMBL3589606 0.87 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2
SCHEMBL3583730 0.87 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2
SCHEMBL3583735 0.87 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2
SCHEMBL3583117 0.84 PTGS2 (0.44) ALDH1A1HPGDSMN1; SMN2APPCYP2C9
SCHEMBL3583121 0.84 PTGS2 (0.44) ALDH1A1HPGDSMN1; SMN2APPCYP2C9
SCHEMBL17225903 0.81 NFKB1 (0.65) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2
SCHEMBL14321618 0.80 TRPA1 (0.57) ALDH1A1HPGDSMN1; SMN2NPSR1NFE2L2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (3 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1265/4885HPGD 510/4885SMN1; SMN2 2207/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885HPGD 573/4885SMN1; SMN2 2392/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1821/4885HPGD 573/4885SMN1; SMN2 2392/4885

“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.