SCHEMBL21787983

SCHEMBL21787983

CC(C)n1c(=O)n(C)c(=O)n(C(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPD P32754 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
POLB P06746 1/20 0.30
P2RX3 P56373 2/20 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
SCHEMBL12157011 0.94 ADORA2B (0.41) ADORA2BKDM4EALDH1A1MAPTHCRTR1
SCHEMBL1318483 0.87 ALDH1A1 (0.42) ADORA2BKDM4EALDH1A1MAPTHCRTR1
SCHEMBL21500472 0.81 ALDH1A1 (0.41) ADORA2BKDM4EALDH1A1MAPTHCRTR1
SCHEMBL22692858 0.79 ADORA2B (0.34) ADORA2B
SCHEMBL2757599 0.76 ADORA2B (0.38) ADORA2BKDM4EALDH1A1MAPTHCRTR1
SCHEMBL25061686 0.74 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHCRTR1GAA
SCHEMBL22374265 0.74 KDM4E (0.34) KDM4EALDH1A1MAPTHCRTR1GAA
SCHEMBL21082580 0.74 KDM4E (0.34) KDM4EALDH1A1MAPTHCRTR1GAA
SCHEMBL25061425 0.72 ALDH1A1 (0.39) ADORA2BKDM4EALDH1A1MAPTHCRTR1
SCHEMBL11682290 0.72 ALDH1A1 (0.44) ADORA2BKDM4EALDH1A1MAPTHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667823-B2 Urethane adhesive composition SIKA HAMATITE CO., LTD. (JP) 2023-06-06 US disclosed
US-20230122028-A1 COATING COMPOSITION COVESTRO (NETHERLANDS) B.V. (NL) 2023-04-20 US disclosed
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ADORA2B 3121/4885KDM4E 3038/4885ALDH1A1 1130/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID ADORA2B 3623/4885KDM4E 4848/4885ALDH1A1 4861/4885

“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.