SCHEMBL20172744

SCHEMBL20172744

O=COc1cc(C(=O)O)cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2cc(OC=O)cc(C(=O)O)c2)C4=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NSD2 O96028 1/20 0.44
G6PD P11413 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CA9 Q16790 7/20 0.43
CA12 O43570 5/20 0.43
RXFP1 Q9HBX9 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 2/20 0.42
POLB P06746 4/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.41
RECQL P46063 2/20 0.41
APEX1 P27695 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
SCHEMBL16691819 0.92 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL4924424 0.87 KDM4E (0.54) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL14164183 0.84 KMT2A (0.58) MEN1KMT2AKDM4EALDH1A1CA9
SCHEMBL12163405 0.83 CA9 (0.56) MEN1KMT2AKDM4ECA9CA12
SCHEMBL14409061 0.81 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1NSD2
SCHEMBL16601814 0.80 KMT2A (0.57) MEN1KMT2AKDM4EALDH1A1RXFP1
SCHEMBL18198712 0.79 POLB (0.52) MEN1KMT2AKDM4EALDH1A1CA9
SCHEMBL12349931 0.76 CA12 (0.42) MEN1KMT2AKDM4EALDH1A1CA9
SCHEMBL12384276 0.75 MEN1 (0.44) MEN1KMT2AKDM4EALDH1A1CA9
SCHEMBL10894941 0.74 NPSR1 (0.66) MEN1KMT2AALDH1A1CA9CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180143525-A1 PHOTOCHROMIC METAL ORGANIC FRAMEWORKS FOR INKLESS AND ERASABLE PRINTING SAINT-GOBAIN GLASS FRANCE (FR) 2018-05-24 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-20180143525-A1 PHOTOCHROMIC METAL ORGANIC FRAMEWORKS FOR INKLESS AND ERASABLE PRINTING CCNI, NDC1, MKI67 MEN1 958/4885KMT2A 513/4885KDM4E 367/4885

“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.