SCHEMBL13019129

SCHEMBL13019129

CCCCCCCCNC(=O)CCNC(=O)NCCC

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.81
CASP2 P42575 1/20 0.71
NAAA Q02083 1/20 0.67
FAAH O00519 3/20 0.58
DNM1 Q05193 1/20 0.54
EPHX2 P34913 4/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8508274 0.90 EPHX1 (0.76) EPHX1CASP2NAAAFAAHDNM1
SCHEMBL12196053 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL421217 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL9322941 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25272649 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25270743 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25229283 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL25276800 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL14012024 0.90 EPHX1 (1.00) EPHX1CASP2EPHX2
SCHEMBL13924359 0.88 CASP2 (0.77) EPHX1CASP2NAAAFAAHDNM1

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 4 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-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
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.