SCHEMBL333996

SCHEMBL333996

CCOC(=O)Cc1c(C(=O)OCC)c2cc(O)ccc2n1-c1ccc2c(c1)c1ccccc1n2CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PTGES O14684 1/20 0.51
LMNA P02545 5/20 0.50
GAA P10253 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
PKM P14618 3/20 0.50
ALOX5 P09917 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL333454 0.85 MEN1 (0.74) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL333894 0.83 SMN1; SMN2 (0.43) MEN1KMT2AKDM4EMAPTALOX5
SCHEMBL333666 0.82 PTGES (0.64) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL334043 0.81 PTGES (0.61) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL333866 0.81 MEN1 (0.59) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL333699 0.81 MAPT (0.61) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL333920 0.80 KMT2A (0.57) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL333953 0.80 KMT2A (0.60) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL333739 0.79 KMT2A (0.62) MEN1KMT2ATSHRNPSR1PTGES
SCHEMBL334941 0.79 SMN1; SMN2 (0.58) MEN1KMT2ATSHRNPSR1PTGES

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 3484/4885TSHR 1377/4885

“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.