SCHEMBL29316573

SCHEMBL29316573

CCCOCCOCC(=O)N(C)OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NR1I2 O75469 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL30574208 0.88 ALDH1A1 (0.43) CES2ALDH1A1TSHRMEN1KMT2A
SCHEMBL13193210 0.85 CES2 (0.46) CES2ALDH1A1TSHRMEN1KMT2A
SCHEMBL25062278 0.84 MEN1 (0.33) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL23703846 0.83 MEN1 (0.34) MEN1KMT2ATDP1
SCHEMBL5735758 0.82 MEN1 (0.33) TSHRMEN1KMT2ATDP1
SCHEMBL26383031 0.82 ALDH1A1 (0.41) CES2ALDH1A1TSHRNR1I2MEN1
SCHEMBL14076749 0.82 ALDH1A1 (0.41) CES2ALDH1A1TSHRNR1I2MEN1
SCHEMBL1254697 0.81 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL25255150 0.81 MEN1 (0.34) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL29053225 0.80 CHRNB2 (0.40) ALDH1A1TSHR

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-20240238461-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. 2024-07-18 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-20240238461-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF BDNF, CD47, MAG CES2 430/4885ALDH1A1 1381/4885TSHR 1143/4885

“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.