SCHEMBL15980869

SCHEMBL15980869

CC(C)NCC(=O)NCCNC(=O)CNC(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ADRB2 P07550 4/20 0.36
ADRB1 P08588 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
DPP4 P27487 1/20 0.33
EPHX1 P07099 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP2 P42575 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
SCHEMBL15980868 0.95 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL25444575 0.91 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL25443810 0.91 KMT2A (0.50) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL25443809 0.91 KMT2A (0.44) ALDH1A1MEN1KMT2ATSHRADRB2
SCHEMBL23551693 0.89 SMN1; SMN2 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL18736128 0.89 MCL1 (0.45) ALDH1A1MEN1KMT2AEPHX1CASP2
SCHEMBL21653812 0.87 FAAH (0.44) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8956586 0.87 HDAC3 (0.37) ALDH1A1MEN1KMT2AADRB2ADRB1
SCHEMBL22134299 0.87 CNR1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL24259733 0.85 EPHX1 (0.47) MEN1KMT2AEPHX1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 ALDH1A1 4558/4885MEN1 3820/4885KMT2A 408/4885

“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.