SCHEMBL24092208

SCHEMBL24092208

CC(C)(C)NCCNC(=O)COCCOCC(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CES2 O00748 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL20993534 0.91 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL10046329 0.88 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL12980779 0.88 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL21124844 0.87 TSHR (0.37) KDM4EALDH1A1CES2
SCHEMBL12981410 0.85 TSHR (0.39) KDM4EALDH1A1NPSR1HSD17B10CES2
SCHEMBL20993448 0.84 GLP1R (0.37) KDM4EALDH1A1POLB
SCHEMBL20133152 0.83 KDM4E (0.43) KDM4EALDH1A1CES2POLB
SCHEMBL4402902 0.83 KDM4E (0.43) KDM4EALDH1A1CES2POLB
SCHEMBL20128726 0.83 KDM4E (0.43) KDM4EALDH1A1CES2POLB
SCHEMBL27408407 0.83 KDM4E (0.43) KDM4EALDH1A1CES2POLB

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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP KDM4E 3860/4885ALDH1A1 371/4885NPSR1 656/4885

“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.