SCHEMBL333969

SCHEMBL333969

COC(=O)c1c(C(=O)OC)n(-c2ccc(OC(C)C)cc2)c2ccc(Oc3ccc(N)cn3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HTT P42858 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ACACB O00763 6/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BRCA1 P38398 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACA Q13085 3/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
PDE5A O76074 2/20 0.35

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
SCHEMBL368313 0.95 MAPT (0.39) MAPTMAPK1HSD17B10HTTPKM
SCHEMBL333970 0.95 MEN1 (0.39) MAPTMAPK1HSD17B10HTTPKM
SCHEMBL334705 0.87 MEN1 (0.39) HSD17B10KDM4EACACBMEN1ALDH1A1
SCHEMBL333599 0.87 LMNA (0.50) MAPTHTT
SCHEMBL335054 0.86 MAPT (0.45) MAPTMAPK1HSD17B10HTTPKM
SCHEMBL1415283 0.85 SMN1; SMN2 (0.43) MAPTHSD17B10HTTSMN1; SMN2KDM4E
SCHEMBL1407296 0.85 MAPT (0.40) MAPTMAPK1HSD17B10HTTPKM
SCHEMBL333600 0.82 LMNA (0.48) MAPTHTT
SCHEMBL335055 0.81 MAPT (0.43) MAPTMAPK1HSD17B10HTTPKM
SCHEMBL1407297 0.80 KDM4E (0.40) MAPTMAPK1HSD17B10HTTPKM

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 2 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
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 49/4885MAPK1 354/4885HSD17B10 3244/4885

“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.