SCHEMBL316508

SCHEMBL316508

CCN(CC)C(=O)c1ccc(C(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.54
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 3/20 0.42
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL317439 0.89 MLYCD (0.43) MLYCDHPGDALDH1A1MAPTHSP90AA1
SCHEMBL316847 0.78 MLYCD (0.58) MLYCDHPGDALDH1A1MAPTHSP90AA1
SCHEMBL316846 0.77 MLYCD (0.52) MLYCDHPGDALDH1A1MAPTRAB9A
SCHEMBL6564642 0.75 THRB (0.33)
SCHEMBL28729268 0.74 ESR1 (0.36) HPGDMAPTLMNA
SCHEMBL316507 0.73 MLYCD (0.51) MLYCDHPGDALDH1A1MAPTHSP90AA1
SCHEMBL5703500 0.73 HPGD (0.73) MLYCDHPGDALDH1A1MAPTHSP90AA1
SCHEMBL28806355 0.72 MLYCD (0.50) MLYCDHPGDALDH1A1MAPTRAB9A
SCHEMBL6564888 0.71 THRB (0.31)
SCHEMBL8388972 0.71 PARP10 (0.33) HPGDALDH1A1MAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093429-B2 Fluoroamine having perfluoroalkyl group, process for producing the same, method of fluorination therewith, and method of recovering amide having perfluoroalkyl group NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-10 US disclosed
US-20090198086-A1 FLUOROAMINE HAVING PERFLUOROALKYL GROUP, PROCESS FOR PRODUCING THE SAME, METHOD OF FLUORINATION THEREWITH, AND METHOD OF RECOVERING AMIDE HAVING PERFLUOROALKYL GROUP NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-08-06 US disclosed
EP-2022776-A1 FLUOROAMINE HAVING PERFLUOROALKYL GROUP, PROCESS FOR PRODUCING THE SAME, METHOD OF FLUORINATION THEREWITH, AND METHOD OF RECOVERING AMIDE HAVING PERFLUOROALKYL GROUP National University Corporation Hokkaido University (JP) 2009-02-11 EP 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-20090198086-A1 FLUOROAMINE HAVING PERFLUOROALKYL GROUP, PROCESS FOR PRODUCING THE SAME, METHOD OF FLUORINATION THEREWITH, AND METHOD OF RECOVERING AMIDE HAVING PERFLUOROALKYL GROUP AFF2, AFF1, PFAS MLYCD 2497/4885HPGD 2615/4885ALDH1A1 685/4885

“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.