SCHEMBL13997485

SCHEMBL13997485

CC(=O)CCOCCOCCNC(=O)CCOCCOCCNC(=O)CCOCCOCCNC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 5/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 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
SCHEMBL13311541 0.92 MEN1 (0.46) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL25129049 0.90 KDM4E (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL24002485 0.90 KDM4E (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL23874295 0.88 KDM4E (0.43) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL24621958 0.88 KMT2A (0.45) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL19658253 0.87 TSHR (0.42) MEN1KMT2AKDM4EALDH1A1CA12
SCHEMBL20466152 0.86 MEN1 (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL23729385 0.86 KMT2A (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL20466149 0.86 MEN1 (0.44) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL25836541 0.86 MEN1 (0.42) MEN1KMT2AKDM4EPOLBTDP1

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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2008-12-25 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-20080317767-A1 Tripartitle Raftophilic Strutures and their Use FGB, CLTB, CD38 MEN1 3565/4885KMT2A 2719/4885KDM4E 2694/4885

“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.