SCHEMBL22096293

SCHEMBL22096293

CCC(=O)NCCCNCC(O)C(O)C(O)C(O)CO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 1/20 0.33
USP2 O75604 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL18102798 0.84 PAOX (0.44) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL18541636 0.81 KDM4E (0.52) MEN1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL22430007 0.81 KDM4E (0.52) MEN1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL1709091 0.81 KDM4E (0.52) MEN1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL15056784 0.81 KDM4E (0.52) MEN1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL22096301 0.81 KDM4E (0.42) MEN1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL10337937 0.81 KDM4E (0.54) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL22096294 0.81 KDM4E (0.39) KDM4ELMNAL3MBTL1PDE4ATDP1
SCHEMBL3680834 0.78 KDM4E (0.52) MEN1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL22321686 0.78 KDM4E (0.52) MEN1KMT2AKDM4ELMNAL3MBTL1

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-10683379-B2 Polymers, hydrogels, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-06-16 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-10683379-B2 Polymers, hydrogels, and uses thereof BOLA2; BOLA2B, PARG, BRAP MEN1 2584/4885KMT2A 3896/4885KDM4E 4052/4885

“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.