SCHEMBL21788052

SCHEMBL21788052

CC(=O)NCCOCCOCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.58
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
FOLH1 Q04609 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PRMT1 Q99873 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
PAOX Q6QHF9 2/20 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
SCHEMBL22690587 0.89 ADRA1A (0.52) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL31228717 0.89 ADRA1A (0.52) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL12197743 0.89 ADRA1A (0.52) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL13056634 0.89 ADRA1A (0.52) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL19057218 0.89 ADRA1A (0.52) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL24490705 0.89 ADRA1A (0.52) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL18532464 0.89 ADRA1A (0.52) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL13248321 0.86 ADRA1A (0.53) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL12673824 0.86 ADRA1A (0.61) ADRA1AMAPK1KDM4EHIF1ATSHR
SCHEMBL16327175 0.85 MAPK1 (0.43) ADRA1AMAPK1KDM4EHIF1ATSHR

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-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 (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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ADRA1A 2905/4885MAPK1 1789/4885KDM4E 3038/4885

“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.