SCHEMBL20968680

SCHEMBL20968680

CC(C)(C)OC(=O)NCCN1C(=O)C=CC1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.43
NFKB2 Q00653 5/20 0.43
RELA Q04206 5/20 0.43
DRD2 P14416 3/20 0.40
AKT1 P31749 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
CACNA1H O95180 1/20 0.37
EPHX1 P07099 1/20 0.37
MAN2B1 O00754 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL19255837 0.90 TDP1 (0.49) DRD2TDP1MEN1GAAKMT2A
SCHEMBL20228106 0.89 NFKB1 (0.39) NFKB1NFKB2RELADRD2TDP1
SCHEMBL22419937 0.81 PLK1 (0.41) NFKB1NFKB2RELA
SCHEMBL27357576 0.77 MTNR1A (0.40) MEN1KMT2A
SCHEMBL998261 0.77 AKT1 (0.59) DRD2AKT1TDP1ALDH1A1GFER
SCHEMBL25051376 0.76 ALDH1A1 (0.41) DRD2ALDH1A1MEN1KMT2AEPHX1
SCHEMBL14423077 0.74 HRH3 (0.32) NFKB1NFKB2RELA
SCHEMBL13528455 0.73 TDP1 (0.43) NFKB1NFKB2RELADRD2AKT1
SCHEMBL13528451 0.73 DRD2 (0.40) DRD2AKT1TDP1ALDH1A1GFER
SCHEMBL21698932 0.73 NFKB1 (0.44) NFKB1NFKB2RELAAKT1GAA

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-20190125894-A1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-05-02 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-20190125894-A1 NOVEL HYDROPHILIC LINKERS AND LIGAND-DRUG CONJUGATES THEREOF CD44, HACD3, HACD2 NFKB1 3864/4885NFKB2 3167/4885RELA 4481/4885

“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.