SCHEMBL334112

SCHEMBL334112

COC(=O)c1c(C(=O)OC)n(-c2ccc(OC(C)C)cc2)c2ccc(O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HTT P42858 4/20 0.61
HPGD P15428 4/20 0.61
PKM P14618 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 2/20 0.61
ALOX15 P16050 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.61
KDM4E B2RXH2 3/20 0.57
GAA P10253 3/20 0.57
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 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 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
SCHEMBL334113 0.94 MAPT (0.57) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL27717659 0.86 MAPT (0.59) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL335008 0.83 PTGES (0.49) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL333729 0.83 MAPT (0.54) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL333957 0.82 MAPT (0.42) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL333737 0.82 PPARG (0.45) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL27717661 0.81 MAPT (0.56) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL1407296 0.80 MAPT (0.40) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL333969 0.80 MAPT (0.40) MAPTHTTHPGDPKMSMN1; SMN2
SCHEMBL3710797 0.79 MAPT (0.43) MAPTHTTHPGDPKMSMN1; 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 MAPT 49/4885HTT 1793/4885HPGD 273/4885

“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.