SCHEMBL333970

SCHEMBL333970

COC(=O)c1c(C(=O)O)c2cc(Oc3ccc(N)cn3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ACACB O00763 4/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
BRCA1 P38398 1/20 0.37
HBB P68871 1/20 0.37
MAPK1 P28482 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACA Q13085 1/20 0.36
PTGES O14684 2/20 0.36
POLB P06746 2/20 0.36
PDE5A O76074 3/20 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
SCHEMBL333969 0.95 MAPT (0.40) MEN1KMT2AKDM4EACACBHSD17B10
SCHEMBL368313 0.93 MAPT (0.39) MEN1KMT2AKDM4EACACBHSD17B10
SCHEMBL334705 0.93 MEN1 (0.39) MEN1KMT2AKDM4EACACBHSD17B10
SCHEMBL333600 0.87 LMNA (0.48) MAPTHTTPTGES
SCHEMBL335055 0.87 MAPT (0.43) MEN1KMT2AKDM4EACACBHSD17B10
SCHEMBL1415283 0.86 SMN1; SMN2 (0.43) MEN1KMT2AKDM4EHSD17B10MAPT
SCHEMBL1407297 0.85 KDM4E (0.40) MEN1KMT2AKDM4EHSD17B10MAPK1
SCHEMBL333599 0.82 LMNA (0.50) MAPTHTT
SCHEMBL335054 0.81 MAPT (0.45) MEN1KMT2AKDM4EACACBHSD17B10
SCHEMBL333775 0.80 PPARG (0.48)

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 MEN1 2066/4885KMT2A 3484/4885KDM4E 1104/4885

“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.