SCHEMBL14212865

SCHEMBL14212865

C/C=C/C=C/C(O)CC=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.41
TRPA1 O75762 2/20 0.35
DDAH1 O94760 1/20 0.35
MAPT P10636 1/20 0.35
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CMKLR1 Q99788 1/20 0.34
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
MAPK1 P28482 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
OXER1 Q8TDS5 1/20 0.31

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
SCHEMBL9863737 0.78
SCHEMBL28935092 0.74 ALDH1A1 (0.36) TRPA1ALDH1A1MAPK1
SCHEMBL28124242 0.74 FPR2 (0.56) GAPDHFPR2ALDH1A1CMKLR1ACHE
SCHEMBL11041657 0.73
SCHEMBL13316122 0.73
SCHEMBL3805343 0.73
SCHEMBL7940124 0.73 ACHE (0.40) GAPDHTRPA1DDAH1MAPTFPR2
SCHEMBL14303487 0.72 CMKLR1 (0.57) GAPDHFPR2ALDH1A1CMKLR1LTB4R
SCHEMBL13077313 0.71
SCHEMBL6535459 0.71 ALDH1A1 (0.37) GAPDHTRPA1DDAH1MAPTFPR2

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-20080108694-A1 Novel Macrocycles and Uses Thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-05-08 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-20080108694-A1 Novel Macrocycles and Uses Thereof BDKRB1, RPS4Y1, GRK4 GAPDH 4233/4885TRPA1 4657/4885DDAH1 2552/4885

“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.