SCHEMBL20529554

SCHEMBL20529554

CC(NC(=O)C(C)NC(=O)CCOCCOCCOCCN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
FAAH O00519 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MME P08473 2/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LTA4H P09960 2/20 0.32
ANPEP P15144 1/20 0.32
ECE1 P42892 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL24065007 0.98 ALDH1A1 (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL23887413 0.94 ALDH1A1 (0.42) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL23887412 0.94 ALDH1A1 (0.42) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL23071874 0.87 SDCBP (0.37) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL20677185 0.87 ALDH1A1 (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL20677186 0.87 ALDH1A1 (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL19401861 0.87 ALDH1A1 (0.39) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL21614001 0.85 TSHR (0.38) ALDH1A1MAPTSMN1; SMN2KDM4ETSHR
SCHEMBL19604673 0.85 ALDH1A1 (0.40) ALDH1A1MAPTFAAHSMN1; SMN2KDM4E
SCHEMBL25603516 0.81 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 US disclosed
EP-3606922-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE Hangzhou Dac Biotech Co., Ltd (CN) 2020-02-12 EP disclosed
WO-2018185526-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-10-11 WO 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 (6 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 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B ALDH1A1 2260/4885MAPT 2303/4885FAAH 2127/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A ALDH1A1 60/4885MAPT 2442/4885FAAH 1871/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885MAPT 1665/4885FAAH 3316/4885

“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.