SCHEMBL333352

SCHEMBL333352

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccccc1OC

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TSHR P16473 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 4/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.48
PTGES O14684 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 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
SCHEMBL5521883 0.85 MEN1 (0.50) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL333454 0.84 MEN1 (0.74) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL333761 0.82 TP53 (0.44) ALOX5MEN1KMT2ALMNAKDM4E
SCHEMBL333866 0.82 MEN1 (0.59) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL333699 0.82 MAPT (0.61) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL333666 0.79 PTGES (0.64) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL334043 0.78 PTGES (0.61) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL333681 0.78 ALOX5 (0.52) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL333996 0.77 MEN1 (0.55) ALOX5MEN1KMT2ATSHRNPSR1
SCHEMBL333920 0.77 KMT2A (0.57) ALOX5MEN1KMT2ATSHRNPSR1

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 ALOX5 1146/4885MEN1 2066/4885KMT2A 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.