SCHEMBL20458026

SCHEMBL20458026

CC(=O)NCCOCCOCCOCCC(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 3/20 0.40
FAAH O00519 1/20 0.40
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NLRP1 Q9C000 1/20 0.34
ACACB O00763 1/20 0.34
TSHR P16473 2/20 0.33
EPHX2 P34913 1/20 0.33
ADRA1A P35348 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL25637025 0.87 MEN1 (0.45) MEN1KMT2AMAPK1MTNR1AMTNR1B
SCHEMBL26249106 0.85 MEN1 (0.46) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL19901903 0.85 KMT2A (0.54) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL861319 0.85 KMT2A (0.54) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL25532300 0.83 KMT2A (0.51) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL19101863 0.83 KDM4E (0.43) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL17130496 0.83 MEN1 (0.42) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL26707067 0.83 MEN1 (0.44) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL21129775 0.82 ACHE (0.41) MEN1KMT2AMAPK1FAAHALDH1A1
SCHEMBL22856965 0.82 MEN1 (0.46) MEN1KMT2AMAPK1MTNR1AMTNR1B

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-10039816-B2 Siderophore-based immunization against gram-negative bacteria MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-08-07 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-10039816-B2 Siderophore-based immunization against gram-negative bacteria SLC40A1, SFXN1, SLC75A1 MEN1 2216/4885KMT2A 4049/4885MAPK1 4334/4885

“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.