SCHEMBL334113

SCHEMBL334113

COC(=O)c1c(C(=O)O)c2cc(O)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
HPGD P15428 4/20 0.57
HTT P42858 4/20 0.57
PKM P14618 3/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPK1 P28482 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 5/20 0.54
GAA P10253 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GFER P55789 1/20 0.48
KMT2A Q03164 4/20 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
SCHEMBL334112 0.94 MAPT (0.61) MAPTHPGDHTTPKMALOX15
SCHEMBL27717661 0.87 MAPT (0.56) MAPTHPGDHTTPKMALOX15
SCHEMBL335009 0.83 PTGES (0.52) PTGESPPARG
SCHEMBL333738 0.82 PPARG (0.48) KDM4EPTGESPPARG
SCHEMBL333958 0.82 KDM4E (0.42) MAPTHPGDHTTPKMALOX15
SCHEMBL27717659 0.81 MAPT (0.59) MAPTHPGDHTTPKMALOX15
SCHEMBL3003071 0.80 GAA (0.48) MAPTHPGDHTTPKMALOX15
SCHEMBL1407297 0.80 KDM4E (0.40) MAPTHPGDHTTPKMALOX15
SCHEMBL333729 0.80 MAPT (0.54) MAPTHPGDHTTPKMALOX15
SCHEMBL333970 0.79 MEN1 (0.39) MAPTHPGDHTTPKMALOX15

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 MAPT 49/4885HPGD 273/4885HTT 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.