SCHEMBL13991122

SCHEMBL13991122

CCCCc1cc(CC)on1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.54
NOS2 P35228 1/20 0.38
MAPK14 Q16539 1/20 0.37
KCNH2 Q12809 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
TP53 P04637 1/20 0.33
EPHX2 P34913 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL12450498 0.88 PPARA (0.45) PPARANOS2TP53NPC1RAB9A
SCHEMBL11371889 0.85 PPARA (0.51) PPARANOS2MAPK14KCNH2ESR1
SCHEMBL9630698 0.85 PPARA (0.55) PPARANOS2MAPK14ESR1ESR2
SCHEMBL25653948 0.85 PPARA (0.51) PPARANOS2MAPK14KCNH2ESR1
SCHEMBL369102 0.84 PPARA (0.71) PPARAKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL13991120 0.84 PPARA (0.54) PPARANOS2EPHX2NPC1RAB9A
SCHEMBL25603631 0.83 PPARA (0.57) PPARANOS2MAPK14NPC1RAB9A
SCHEMBL18256139 0.83 PPARA (0.43) PPARANPC1RAB9ASMN1; SMN2S1PR1
SCHEMBL1233522 0.81 PPARA (0.55) PPARANOS2MAPK14ESR1ESR2
SCHEMBL9285410 0.81

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-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 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 (2 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 PPARA 310/4885NOS2 785/4885MAPK14 2594/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 PPARA 321/4885NOS2 1133/4885MAPK14 1046/4885

“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.