SCHEMBL333231

SCHEMBL333231

COc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ccc(OC(C)C)cc4)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 3/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PTGES O14684 1/20 0.39

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
SCHEMBL503871 0.94 MEN1 (0.48) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL334235 0.91 BCL2 (0.42) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL503872 0.91 USP14 (0.48) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL10051928 0.90 KDM4E (0.57) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL334350 0.89 PTGES (0.52) MEN1KMT2AKDM4EPTGES
SCHEMBL361319 0.89 PPARG (0.42) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL334349 0.89 PPARG (0.44) MEN1KMT2AAKR1C3AKR1C2PTGES
SCHEMBL504356 0.89 PPARG (0.42) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL503756 0.88 USP14 (0.45) MEN1KMT2AKDM4EMAPTHIF1A
SCHEMBL503499 0.88 MDM2 (0.45) MEN1KMT2AKDM4EMAPTUSP14

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 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.