SCHEMBL21163583

SCHEMBL21163583

CC(C)CCOCCNC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 3/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 0.31
ANPEP P15144 2/20 0.31
RNPEP Q9H4A4 2/20 0.31
DNPEP Q9ULA0 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
SCHEMBL23945889 0.90 MEN1 (0.43) MEN1KMT2APOLBCNR1CNR2
SCHEMBL21106913 0.88 MEN1 (0.46) MEN1KMT2APOLBCNR1CNR2
SCHEMBL26018455 0.88 MEN1 (0.46) MEN1KMT2APOLBCNR1CNR2
SCHEMBL24927410 0.88 MEN1 (0.46) MEN1KMT2APOLBCNR1CNR2
SCHEMBL22821424 0.87 MEN1 (0.47) MEN1KMT2APOLBEPHX2SMN1; SMN2
SCHEMBL23225828 0.86 MEN1 (0.43) MEN1KMT2APOLBSMN1; SMN2HSD17B10
SCHEMBL5066367 0.85 MEN1 (0.50) MEN1KMT2APOLBEPHX2SMN1; SMN2
SCHEMBL22821556 0.82 KMT2A (0.55) MEN1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL18389543 0.81 MEN1 (0.39) MEN1KMT2ATDP1CNR1CNR2
SCHEMBL23789741 0.81 KMT2A (0.49) MEN1KMT2APOLBEPHX2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION MERCK SHARP & DOHME CORP. 2019-07-11 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-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION ERG28, PAICS, BAK1 MEN1 2404/4885KMT2A 1118/4885TDP1 4415/4885

“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.