SCHEMBL31995

SCHEMBL31995

CCC(O)/C=C/C=C\CC(O)/C=C\C=C/C/C=C\CCCC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 3/20 0.78
CMKLR1 Q99788 1/20 0.68
LTB4R2 Q9NPC1 2/20 0.67
ALOX5 P09917 2/20 0.64
MAPT P10636 1/20 0.64
ALDH1A1 P00352 2/20 0.56
LTB4R Q15722 1/20 0.56
FAAH O00519 1/20 0.54
F7 P08709 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP19A1 P11511 1/20 0.54
F3 P13726 1/20 0.54
RXRA P19793 1/20 0.54
PTGS1 P23219 1/20 0.54
PPARG P37231 1/20 0.54
KMT2A Q03164 1/20 0.54
PPARD Q03181 1/20 0.54
PPARA Q07869 1/20 0.54

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
SCHEMBL29922397 1.00 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31957 1.00 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31996 1.00 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31967 1.00 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31999 1.00 OXER1 (0.78) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31928 0.96 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31955 0.96 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31757 0.96 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL31964 0.96 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT
SCHEMBL32029 0.96 OXER1 (0.80) OXER1CMKLR1LTB4R2ALOX5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853437-B2 Anti-inflammatory compounds THE UNIVERSITY OF TOKYO (JP) 2014-10-07 US disclosed
US-8853437-B2 Anti-inflammatory compounds THE UNIVERSITY OF TOKYO (JP) 2014-10-07 US disclosed
US-20120059061-A1 NOVEL ANTI-INFLAMMATORY COMPOUNDS THE UNIVERSITY OF TOKYO (JP) 2012-03-08 US disclosed
US-20120059061-A1 NOVEL ANTI-INFLAMMATORY COMPOUNDS THE UNIVERSITY OF TOKYO (JP) 2012-03-08 US disclosed
WO-2012026106-A1 OPTICALLY ACTIVE NOVEL ANTI-INFLAMMATORY COMPOUND AND METHOD FOR PRODUCING SAME 国立大学法人 東京大学 (JP) 2012-03-01 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-20120059061-A1 NOVEL ANTI-INFLAMMATORY COMPOUNDS ALOX15, ALOX15B, ALOX12 OXER1 174/4885CMKLR1 447/4885LTB4R2 9/4885

“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.