SCHEMBL333757

SCHEMBL333757

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HTT P42858 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PTGES O14684 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5 P09917 4/20 0.47
THRB P10828 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL3008659 0.92 KMT2A (0.50) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL333699 0.89 MAPT (0.61) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL333920 0.88 KMT2A (0.57) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL333479 0.87 TP53 (0.52) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL334361 0.86 ALOX5 (0.61) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL333467 0.86 SMN1; SMN2 (0.44) KMT2AMEN1MAPTKDM4EPTGES
SCHEMBL334043 0.86 PTGES (0.61) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL333454 0.86 MEN1 (0.74) KMT2AMEN1HTTMAPTMAPK1
SCHEMBL360288 0.85 THRB (0.49) KMT2AMEN1MAPTPTGESSMN1; SMN2
SCHEMBL333940 0.85 PTGES (0.44) KMT2AMEN1MAPTPTGESSMN1; SMN2

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 7 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 US disclosed
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 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 (3 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 KMT2A 3808/4885MEN1 2218/4885HTT 1883/4885
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG KMT2A 3665/4885MEN1 2019/4885HTT 1758/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG KMT2A 3484/4885MEN1 2066/4885HTT 1793/4885

“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.