SCHEMBL17833490

SCHEMBL17833490

Cc1ccc(-c2cc(CCCC(=O)N(C)O)sc2-c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
ALOX5 P09917 2/20 0.40
OPRD1 P41143 1/20 0.35
PTGS2 P35354 1/20 0.35
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
EP300 Q09472 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL678077 0.88 ALOX5 (0.56) MAPK14ALOX5OPRD1PTGS2EP300
SCHEMBL7761536 0.86 OPRD1 (0.48) ALOX5OPRD1PTGS2EP300MEN1
SCHEMBL14195275 0.83 ALOX5 (0.51) MAPK14ALOX5OPRD1PTGS2EP300
SCHEMBL7756777 0.80 OPRD1 (0.52) ALOX5OPRD1PTGS2EP300ALDH1A1
SCHEMBL7756786 0.75 OPRD1 (0.47) MAPK14ALOX5OPRD1PTGS2EP300
SCHEMBL5599629 0.71 OPRD1 (0.53) MAPK14OPRD1EP300MEN1ALDH1A1
SCHEMBL7760704 0.70 OPRD1 (0.49) ALOX5OPRD1EP300MEN1ALDH1A1
SCHEMBL7899189 0.69 OPRD1 (0.51) MAPK14OPRD1EP300MEN1ALDH1A1
SCHEMBL7902764 0.67 OPRD1 (0.54) MAPK14OPRD1PTGS2EP300ALDH1A1
SCHEMBL8985349 0.66 PTGS2 (0.62) PTGS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 MAPK14 3329/4885ALOX5 25/4885OPRD1 614/4885

“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.