SCHEMBL13617036

SCHEMBL13617036

CC(=O)Oc1ccccc1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2OC(C)=O)c(O)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
PTGS2 P35354 2/20 0.45
KIFC1 Q9BW19 1/20 0.44
ITGB1 P05556 5/20 0.43
ITGA4 P13612 4/20 0.43
ITGB7 P26010 4/20 0.43
FPR2 P25090 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB3 P05106 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
ITGA2B P08514 1/20 0.41

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
SCHEMBL13617038 0.92 KDM4E (0.49) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL13617031 0.92 KDM4E (0.51) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL5925710 0.86 PTGS2 (0.59) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL13617041 0.85 KDM4E (0.49) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL3855594 0.85 KDM4E (0.53) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL3857457 0.84 KMT2A (0.57) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL8252665 0.80 KDM4E (0.40) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL3859674 0.77 KDM4E (0.60) KMT2AKDM4EHSD17B10HPGDMEN1
SCHEMBL11862343 0.77 CCR5 (0.55) HPGDITGB1FPR2CA1CA2
SCHEMBL3858455 0.76 KDM4E (0.59) KMT2AKDM4EHSD17B10HPGDMEN1

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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 US disclosed
US-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE ELLNEUROXX LTD. (DE) 2009-11-19 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-20090285888-A1 DERIVATIVES OF DIHYDROXYPHENYLALANINE HTT, NLN, SNCA KMT2A 717/4885KDM4E 3710/4885HSD17B10 1148/4885

“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.