SCHEMBL333697

SCHEMBL333697

CCOC(=O)C=C(CC(=O)OCC)N(Cc1ccccc1)C1=COCO1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.37
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.35
PPID Q08752 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL976808 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTPPIDLMNA
SCHEMBL3393849 0.69 OPRM1 (0.43) ALDH1A1MAPTHSD17B10NPC1RAB9A
Malonic Acid Diethyl Ester SCHEMBL11067701 0.65 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2PPIDLMNAPOLB
SCHEMBL22410766 0.65 ALDH1A1 (0.43) ALDH1A1MAPTPPIDLMNAPOLB
SCHEMBL22410767 0.65 ALDH1A1 (0.43) ALDH1A1MAPTPPIDLMNAPOLB
SCHEMBL761128 0.65 TSHR (0.45) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL23327994 0.65 ALDH1A1 (0.50) TRPM8ALDH1A1MAPTLMNAPOLB
SCHEMBL11496129 0.65 ALDH1A1 (0.50) TRPM8ALDH1A1MAPTLMNAPOLB
SCHEMBL23327993 0.65 ALDH1A1 (0.50) TRPM8ALDH1A1MAPTLMNAPOLB
SCHEMBL10371406 0.64 PPID (0.58) ALDH1A1SMN1; SMN2MAPTPPIDLMNA

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 TRPM8 2043/4885ALDH1A1 2276/4885SMN1; SMN2 3963/4885

“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.