SCHEMBL2360448

SCHEMBL2360448

C=CCc1ccc(OCC(=O)O)c(OCC(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.59
PTGDR Q13258 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.58
PTGS1 P23219 2/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 5/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
CYP3A4 P08684 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 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
SCHEMBL30464883 0.91 PPARA (0.72) PPARAPTGS1NPC1RAB9AALDH1A1
SCHEMBL7359872 0.91 PPARA (0.72) PPARAPTGS1NPC1RAB9AALDH1A1
SCHEMBL3675332 0.90 PPARA (0.57) PPARAPTGDRPTGDR2PTGS1NPC1
SCHEMBL2359864 0.83 PTGS1 (0.56) PPARAPTGS1NPC1RAB9AALDH1A1
Pentachlorophenol SCHEMBL7355120 0.82 PPARA (0.61) PPARAPTGDRPTGDR2PTGS1NPC1
SCHEMBL7822082 0.80 PPARA (0.58) PPARAPTGS1NPC1RAB9AALDH1A1
SCHEMBL5830687 0.78 ALOX15 (0.55) PTGDRPTGDR2ALDH1A1PPARGPPARD
SCHEMBL14093024 0.78 PTGDR2 (0.58) PTGDR2SMN1; SMN2MEN1KMT2AHTT
SCHEMBL4327196 0.78 ALDH1A1 (0.65) PPARAPTGS1NPC1RAB9AALDH1A1
SCHEMBL4327190 0.77 PPARA (0.85) PPARAPTGS1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703692-B2 7-(alk-1′enyl)-2H-benzo[B][1,4]dioxepin-3(4H)-ones and their use in fragrance applications GIVAUDAN SA (CH) 2014-04-22 US disclosed
EP-2534143-A1 7 - (ALK- 1 ' -ENYL) - 2H-BENZO [B][1, 4]DIOXEPIN- 3 (4H) - ONES AND THEIR USE IN FRAGRANCE APPLICATIONS Givaudan SA (CH) 2012-12-19 EP disclosed
US-20120309670-A1 7-(ALK-1'-ENYL)-2H-BENZO[B][1,4]DIOXEPIN-3(4H)-ONES AND THEIR USE IN FRAGRANCE APPLICATIONS GIVAUDAN SA (CH) 2012-12-06 US disclosed
WO-2011098472-A1 7 - (ALK- 1 ' -ENYL) - 2H-BENZO [B] [1, 4] DIOXEPIN- 3 (4H) - ONES AND THEIR USE IN FRAGRANCE APPLICATIONS GIVAUDAN SA (CH) 2011-08-18 WO 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-20120309670-A1 7-(ALK-1'-ENYL)-2H-BENZO[B][1,4]DIOXEPIN-3(4H)-ONES AND THEIR USE IN FRAGRANCE APPLICATIONS ALK, OR51E2, ALKBH3 PPARA 3082/4885PTGDR 862/4885PTGDR2 949/4885

“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.