SCHEMBL334068

SCHEMBL334068

CC(C)Oc1ccc(-n2c(CC(=O)O)c(C(=O)O)c3cc(Oc4ncccc4C(=O)O)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGES O14684 2/20 0.35
PLA2G4A P47712 1/20 0.35
TP53 P04637 1/20 0.35
MAPK8 P45983 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
BCL2 P10415 1/20 0.34
MDM2 Q00987 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL5506893 0.94 RAB9A (0.40) MEN1KMT2AKDM4E
SCHEMBL334018 0.86 MEN1 (0.39) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL333558 0.86 TP53 (0.43) MEN1KMT2AMAPTSMN1; SMN2PTGES
SCHEMBL503599 0.82 MAOB (0.40) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL333587 0.82 RAB9A (0.43) MEN1KMT2AKDM4EPTGESMAPK8
SCHEMBL333231 0.82 MEN1 (0.48) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL503499 0.81 MDM2 (0.45) MEN1KMT2AKDM4EMAPTPLA2G4A
SCHEMBL334268 0.81 KDM4E (0.41) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL503872 0.81 USP14 (0.48) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL334235 0.81 BCL2 (0.42) MEN1KMT2AKDM4EGAAMAPT

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.