SCHEMBL3316508

SCHEMBL3316508

C=CCc1c(O)c(=O)ccn1COCCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UPP1 Q16831 1/20 0.34
USP2 O75604 1/20 0.32
PNP P00491 1/20 0.32
TSHR P16473 1/20 0.32
EDNRA P25101 1/20 0.32
HTR2A P28223 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM6A O15550 1/20 0.31
KDM4A O75164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5C P41229 1/20 0.31

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
SCHEMBL13060128 0.79 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL878561 0.78 KDM4E (0.40) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL3319649 0.72 APP (0.37) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9386569 0.71 KDM4E (0.39) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL254514 0.65 DUT (0.56) UPP1
SCHEMBL24114956 0.65 PNP (0.41) HTTUPP1USP2PNPTSHR
SCHEMBL10480769 0.65 KDM4E (0.42) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL958138 0.64 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL4754379 0.61 KDM4E (0.46) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL8129400 0.61 KDM4E (0.44) KDM4ETP53CYP2D6HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334320-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-12-18 US disclosed
US-20100310460-A1 COMPOSITIONS AND METHODS FOR CHELATION THERAPY LIU GANG 2010-12-09 US disclosed
US-7728038-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-06-01 US disclosed
US-20060030619-A1 Compositions and methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2006-02-09 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 (2 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-20100310460-A1 COMPOSITIONS AND METHODS FOR CHELATION THERAPY SOST, SOD3, HIF1AN KDM4E 825/4885TP53 2100/4885CYP2D6 3640/4885
US-20060030619-A1 Compositions and methods for chelation therapy SOST, SOD3, HIF1AN KDM4E 825/4885TP53 2100/4885CYP2D6 3640/4885

“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.