SCHEMBL333920

SCHEMBL333920

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
PTGES O14684 1/20 0.54
TSHR P16473 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 4/20 0.48
MAPK1 P28482 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.47
ALOX5 P09917 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 4/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL334043 0.90 PTGES (0.61) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL333757 0.88 KMT2A (0.56) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL333454 0.87 MEN1 (0.74) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL333699 0.87 MAPT (0.61) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL333953 0.86 KMT2A (0.60) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL333739 0.85 KMT2A (0.62) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL333484 0.85 USP14 (0.45) KMT2AMEN1PTGESMAPTMAPK1
SCHEMBL333646 0.84 TSHR (0.58) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL334361 0.84 ALOX5 (0.61) KMT2AMEN1PTGESTSHRNPSR1
SCHEMBL334159 0.84 TP53 (0.45) KMT2AMEN1PTGESMAPTSMN1; 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 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 KMT2A 3484/4885MEN1 2066/4885PTGES 34/4885

“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.