SCHEMBL333681

SCHEMBL333681

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc(OC)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.52
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TSHR P16473 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL333699 0.85 MAPT (0.61) ALOX5HTTMAPTMAPK1KDM4E
SCHEMBL333897 0.84 AKR1C3 (0.43) ALOX5MAPTKMT2AMEN1HSD17B10
SCHEMBL333866 0.82 MEN1 (0.59) ALOX5HTTMAPTMAPK1KDM4E
SCHEMBL333454 0.78 MEN1 (0.74) ALOX5HTTMAPTMAPK1KDM4E
SCHEMBL333352 0.78 ALOX5 (0.58) ALOX5MAPTMAPK1KDM4EKMT2A
SCHEMBL1407609 0.77 MAPT (0.58) ALOX5HTTMAPTMAPK1KDM4E
SCHEMBL333757 0.77 KMT2A (0.56) ALOX5HTTMAPTMAPK1KDM4E
SCHEMBL334361 0.77 ALOX5 (0.61) ALOX5HTTMAPTMAPK1KDM4E
SCHEMBL334043 0.76 PTGES (0.61) ALOX5HTTMAPTMAPK1KDM4E
SCHEMBL333920 0.75 KMT2A (0.57) ALOX5HTTMAPTMAPK1KDM4E

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 3 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

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 1146/4885HTT 1793/4885MAPT 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.