SCHEMBL21788081

SCHEMBL21788081

CCC(CNC(C)C)CNC(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRA1A P35348 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
SCHEMBL104741 0.94 TSHR (0.35) TSHRALDH1A1CYP3A4HIF1AADRB2
SCHEMBL22389044 0.87 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4
SCHEMBL24199120 0.84 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4
SCHEMBL17298943 0.84 ALDH1A1 (0.30) TSHRALDH1A1CYP3A4
SCHEMBL21788095 0.83 ADRB2 (0.36) TSHRALDH1A1CYP3A4HIF1AADRB2
SCHEMBL23945844 0.82 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4
SCHEMBL17624872 0.80 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL3838045 0.80 TSHR (0.64) TSHRALDH1A1CYP3A4HIF1A
SCHEMBL12425858 0.78 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4
SCHEMBL23550067 0.77 TSHR (0.32) TSHRALDH1A1CYP3A4HIF1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TSHR 1797/4885ALDH1A1 1130/4885CYP3A4 1679/4885
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 TSHR 3166/4885ALDH1A1 618/4885CYP3A4 4259/4885

“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.