SCHEMBL22699698

SCHEMBL22699698

CC(C)(CCC(C)(C)N1CCOCC1)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL24106790 0.98 ALDH1A1 (0.36) ALDH1A1PKMGAARECQLPOLB
SCHEMBL22455047 0.83 ALDH1A1 (0.30) ALDH1A1PKM
SCHEMBL25919445 0.83 ALDH1A1 (0.30) ALDH1A1PKM
SCHEMBL22871678 0.83 CYP2B6 (0.38) KMT2A
SCHEMBL23336586 0.83 CYP2B6 (0.38) KMT2A
SCHEMBL21943321 0.83 ALDH1A1 (0.35) ALDH1A1PKMGAAPOLBL3MBTL1
SCHEMBL19820306 0.83 ALDH1A1 (0.35) ALDH1A1PKMGAAPOLBL3MBTL1
SCHEMBL13813386 0.82 ALDH1A1 (0.38) ALDH1A1PKMGAAPOLBL3MBTL1
SCHEMBL21166053 0.81 ALDH1A1 (0.33) ALDH1A1PKMGAAPOLBMEN1
SCHEMBL20182443 0.80 CYP2B6 (0.37) KMT2A

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-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 US disclosed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 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-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications HSP90B1, EIF4EBP1, SERPINA6 ALDH1A1 4668/4885PKM 1572/4885GAA 809/4885
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS HSP90B1, EIF4EBP1, SERPINA6 ALDH1A1 4668/4885PKM 1572/4885GAA 809/4885

“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.