SCHEMBL2194940

SCHEMBL2194940

CC(C(=O)O)c1ccc(OCCC2CCCCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
GCK P35557 1/20 0.44
ALOX5 P09917 4/20 0.43
PTGES O14684 2/20 0.43
GPR119 Q8TDV5 2/20 0.42
GRM2 Q14416 1/20 0.42
PPARG P37231 3/20 0.41
PTGS2 P35354 1/20 0.41
PSEN1 P49768 1/20 0.41
ACACB O00763 3/20 0.41
LNPEP Q9UIQ6 3/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL12420688 0.78 NFE2L2 (0.52) NFE2L2GCKALOX5PTGESGRM2
SCHEMBL4044221 0.76 PDE3B (0.39) ACACB
SCHEMBL2194942 0.74 NFE2L2 (0.48) NFE2L2ALOX5PTGESGRM2LNPEP
SCHEMBL2195417 0.72 NFE2L2 (0.55) NFE2L2ALOX5PTGESGRM2HPGD
SCHEMBL7316232 0.72 NFE2L2 (0.62) NFE2L2GCKHPGD
SCHEMBL30712982 0.71 NFE2L2 (0.54) NFE2L2ALOX5PTGESGRM2HPGD
SCHEMBL2193147 0.71 NFE2L2 (0.54) NFE2L2ALOX5PTGESGRM2HPGD
SCHEMBL13806577 0.71 NFE2L2 (0.50) NFE2L2ALOX5PTGESGRM2HPGD
SCHEMBL2917239 0.71 ITGB3 (0.60) NFE2L2PPARGACACBHPGD
SCHEMBL11893183 0.71 NFE2L2 (0.60) NFE2L2HPGD

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R NFE2L2 1770/4885GCK 3637/4885ALOX5 38/4885

“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.