SCHEMBL15567887

SCHEMBL15567887

CCOC(=O)C(C(=O)C(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
TRPA1 O75762 1/20 0.31
POLB P06746 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
PIN1 Q13526 1/20 0.30

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
SCHEMBL20473345 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAMAPTHTT
SCHEMBL3383070 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNAMAPTHTT
SCHEMBL22912542 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAMAPTHTT
SCHEMBL6209988 0.76 HSD17B10 (0.37) ALDH1A1HSD17B10LMNAMAPTHTT
SCHEMBL28169817 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10LMNAMAPTHTT
SCHEMBL457732 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNAMAPTALOX15
SCHEMBL3868205 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNAHTTALOX15
SCHEMBL238384 0.73
Water SCHEMBL10546271 0.72 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAHTTALOX15
SCHEMBL7406646 0.72 ALDH1A1 (0.40) ALDH1A1HSD17B10LMNAMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617220-B2 Method for the preparation of perfluoroalkyl containing pyrazoles carboxylates BAYER CROPSCIENCE AG (DE) 2017-04-11 US disclosed
US-9617220-B2 Method for the preparation of perfluoroalkyl containing pyrazoles carboxylates BAYER CROPSCIENCE AG (DE) 2017-04-11 US disclosed
US-9617220-B2 Method for the preparation of perfluoroalkyl containing pyrazoles carboxylates BAYER CROPSCIENCE AG (DE) 2017-04-11 US disclosed
EP-2882717-B1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES BAYER CROPSCIENCE AG (DE) 2017-03-29 EP disclosed
EP-2882717-B1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES BAYER CROPSCIENCE AG (DE) 2017-03-29 EP disclosed
US-20150239846-A1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES BAYER CROPSCIENCE AG (DE) 2015-08-27 US disclosed
US-20150239846-A1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES BAYER CROPSCIENCE AG (DE) 2015-08-27 US disclosed
US-20150239846-A1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES BAYER CROPSCIENCE AG (DE) 2015-08-27 US disclosed
EP-2882717-A1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES Bayer CropScience AG (DE) 2015-06-17 EP disclosed
WO-2014023667-A1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES BAYER CROPSCIENCE AG (DE) 2014-02-13 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 (1 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-20150239846-A1 METHOD FOR THE PREPARATION OF PERFLUOROALKYL CONTAINING PYRAZOLES CARBOXYLATES PFAS, CYP4F3, CYP2F1 ALDH1A1 1303/4885HSD17B10 311/4885LMNA 1540/4885

“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.