SCHEMBL13063728

SCHEMBL13063728

CCCCCCCCNC(=O)CCNC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.51
CASP2 P42575 1/20 0.51
NAAA Q02083 1/20 0.49
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 1/20 0.43
GBA1 P04062 2/20 0.43
DNM1 Q05193 1/20 0.42
EPHX2 P34913 4/20 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
SCHEMBL13063698 0.93 CASP2 (0.56) EPHX1CASP2NAAAMEN1ALDH1A1
SCHEMBL10046413 0.93 EPHX1 (0.59) EPHX1CASP2EPHX2
SCHEMBL10046349 0.93 EPHX1 (0.59) EPHX1CASP2EPHX2
SCHEMBL10046572 0.81 GBA1 (0.44) CASP2MEN1KMT2AFAAHGBA1
SCHEMBL13827121 0.79 GBA1 (0.33) EPHX1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16473143 0.79 EPHX1 (0.44) EPHX1MEN1KMT2ASMN1; SMN2GBA1
SCHEMBL13019129 0.77 EPHX1 (0.81) EPHX1CASP2NAAAMEN1ALDH1A1
SCHEMBL8087339 0.76 GBA1 (0.49) CASP2NAAAMEN1ALDH1A1KMT2A
SCHEMBL8508274 0.76 EPHX1 (0.76) EPHX1CASP2NAAAFAAHDNM1
SCHEMBL8088030 0.75 GBA1 (0.50) CASP2NAAAMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842626-B2 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-30 US disclosed
US-20080113172-A1 Partially fluorinated compositions and surface active agents E. I. DU PONT DE NEMOURS AND COMPANY 2008-05-15 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 (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-20080113172-A1 Partially fluorinated compositions and surface active agents FLNB, FLNA, FSCN1 EPHX1 1467/4885CASP2 2101/4885NAAA 43/4885

“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.