SCHEMBL11014644

SCHEMBL11014644

CCCCCCNC(=O)CNC

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.64
NAAA Q02083 1/20 0.60
EPHX1 P07099 8/20 0.59
FAAH O00519 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 2/20 0.51
LPAR1 Q92633 1/20 0.51

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
SCHEMBL22340820 1.00 CASP2 (0.64) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL21613628 1.00 CASP2 (0.64) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL25950981 1.00 CASP2 (0.64) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL19606563 0.98 CASP2 (0.61) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL8209484 0.91 CASP2 (0.52) CASP2NAAAEPHX1FAAHMEN1
SCHEMBL25449079 0.91 EPHX2 (0.65) EPHX2LPAR1
SCHEMBL11832089 0.91 EPHX2 (0.65) EPHX2LPAR1
SCHEMBL25477974 0.89 S1PR2 (0.53) CASP2NAAAEPHX1FAAH
SCHEMBL25091844 0.86 CASP2 (0.68) CASP2NAAAFAAHMEN1KMT2A
SCHEMBL13864762 0.86 CASP2 (0.49) CASP2NAAAEPHX1FAAHEPHX2

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-8945526-B2 Amphiphilic substance, and drug delivery system and molecular imaging system using the same SHIMADZU CORPORATION (JP) 2015-02-03 US disclosed
US-20080019908-A1 Novel amphiphilic substance, and drug delivery system and molecular imaging system using the same SHIMADZU CORPORATION (JP) 2008-01-24 US disclosed
EP-0144290-A2 Substituted ethylenediamine derivatives CIBA-GEIGY AG (CH) 1985-06-12 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-20080019908-A1 Novel amphiphilic substance, and drug delivery system and molecular imaging system using the same SLC43A1, FABP1, SPNS2 CASP2 1606/4885NAAA 588/4885EPHX1 2650/4885

“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.