SCHEMBL21788095

SCHEMBL21788095

CC(C)NCC(CNC(C)C)CNC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRB1 P08588 5/20 0.32
ADRB3 P13945 4/20 0.32
MAPT P10636 2/20 0.32
MTOR P42345 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 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
SCHEMBL24064983 0.87 KDM4E (0.33) ADRB2TSHRHIF1AADRA1AKDM4E
SCHEMBL21788081 0.83 TSHR (0.35) ADRB2TSHRHIF1AADRA1AALDH1A1
SCHEMBL104741 0.83 TSHR (0.35) ADRB2TSHRHIF1AADRA1AALDH1A1
SCHEMBL21788084 0.83 TP53 (0.35) TSHRKDM4EALDH1A1CYP3A4
SCHEMBL21788078 0.81
SCHEMBL25062111 0.78 TSHR (0.30) ADRB2TSHRHIF1AADRA1A
SCHEMBL23550067 0.78 TSHR (0.32) ADRB2TSHRHIF1AADRA1AALDH1A1
SCHEMBL9407492 0.77 ADRB2 (0.36) ADRB2TSHRHIF1AADRA1AADRB1
SCHEMBL91192 0.77
SCHEMBL22045344 0.76 ADRB2 (0.38) ADRB2ADRA1AADRB1ADRB3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 US disclosed
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 US disclosed
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-06-04 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 (5 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 ADRB2 3526/4885TSHR 1797/4885HIF1A 2446/4885
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA ADRB2 3582/4885TSHR 863/4885HIF1A 4324/4885
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ADRB2 4574/4885TSHR 107/4885HIF1A 4221/4885
US-20200172480-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ADRB2 4574/4885TSHR 107/4885HIF1A 4221/4885
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM ADRB2 4587/4885TSHR 3166/4885HIF1A 4489/4885

“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.