SCHEMBL333976

SCHEMBL333976

CCOC(=O)/C=C(/CC(=O)OCC)Nc1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EGFR P00533 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL333977 1.00 GAA (0.50) GAAL3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL7749875 0.89 SMN1; SMN2 (0.52) GAAL3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL7749873 0.89 SMN1; SMN2 (0.52) GAAL3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL334253 0.81 ALDH1A1 (0.49) GAAL3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL334254 0.81 ALDH1A1 (0.49) GAAL3MBTL1KMT2ASMN1; SMN2NPC1
SCHEMBL333786 0.79 HPGD (0.53) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL333785 0.79 HPGD (0.53) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL333500 0.77 SMN1; SMN2 (0.47) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL333499 0.77 SMN1; SMN2 (0.47) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10893778 0.77 KMT2A (0.72) GAAL3MBTL1KMT2ASMN1; SMN2RAB9A

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 GAA 2988/4885L3MBTL1 2281/4885KMT2A 3484/4885

“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.