SCHEMBL2195053

SCHEMBL2195053

Cc1ccc(OCCC2CCCCC2)c[n+]1[O-]

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.54
HPGD P15428 10/20 0.41
GRM2 Q14416 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
LTA4H P09960 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
YES1 P07947 1/20 0.36
PDGFRB P09619 1/20 0.36
EPHB4 P54760 1/20 0.36

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
SCHEMBL35212115 0.77 NFE2L2 (0.70) NFE2L2HPGDGRM2HRH3
SCHEMBL30674531 0.77 NFE2L2 (0.70) NFE2L2HPGDGRM2HRH3
SCHEMBL15004522 0.75 NFE2L2 (0.67) NFE2L2HPGDGRM2HRH3
SCHEMBL3332404 0.75 CA12 (0.47) HRH3LTA4H
SCHEMBL8274997 0.74 NFE2L2 (0.66) NFE2L2HPGDGRM2HRH3LTA4H
SCHEMBL30674771 0.73 NFE2L2 (0.70) NFE2L2HPGDGRM2HRH3
SCHEMBL3303080 0.73 CYP3A4 (0.44)
SCHEMBL8276935 0.72 NFE2L2 (0.63) NFE2L2HPGDGRM2HRH3LTA4H
SCHEMBL9264667 0.71 NQO1 (0.50) HPGDLTA4H
SCHEMBL10212076 0.71 NFE2L2 (0.66) NFE2L2HPGDGRM2HRH3

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 1770/4885HPGD 195/4885GRM2 3819/4885

“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.