SCHEMBL334133

SCHEMBL334133

CCOC(=O)/C=C(/CC(=O)OCC)c1ccc(N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PSMD14 O00487 1/20 0.43
HPGD P15428 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL334134 1.00 ALDH1A1 (0.46) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL9581900 0.82 SMN1; SMN2 (0.47) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL9581896 0.82 SMN1; SMN2 (0.47) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL5094824 0.79 ALDH1A1 (0.52) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL11484480 0.77 FNTA (0.46) ALDH1A1NPC1MAPTRAB9AL3MBTL1
Malonic Acid Diethyl Ester SCHEMBL9840328 0.77 ALDH1A1 (0.48) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL7411869 0.75 ALDH1A1 (0.49) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL4696363 0.75 ALDH1A1 (0.48) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL10783964 0.74 MAOB (0.57) ALDH1A1NPC1MAPTRAB9AL3MBTL1
SCHEMBL11721369 0.73 MAPT (0.51) ALDH1A1NPC1MAPTRAB9AL3MBTL1

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-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 US disclosed
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG ALDH1A1 2276/4885NPC1 4688/4885MAPT 49/4885

“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.