SCHEMBL29316574

SCHEMBL29316574

CCCOCCOCC(=O)c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
GRM5 P41594 1/20 0.39
CYP1A2 P05177 1/20 0.37
GRM4 Q14833 1/20 0.35
NR1I2 O75469 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR7 P34969 1/20 0.33
CTSA P10619 1/20 0.33
RARB P10826 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL29316577 0.82 CYP1A2 (0.46) ALDH1A1KMT2AGAAHPGDGRM5
SCHEMBL1555147 0.79 HPGD (0.45) CHRNB2CHRNA4ALDH1A1KMT2AGAA
SCHEMBL24440536 0.78 SUCNR1 (0.45) ALDH1A1HPGDCNR2ADORA2AADORA1
SCHEMBL29053179 0.78 ALDH1A1 (0.47) CHRNB2CHRNA4ALDH1A1KMT2AGAA
SCHEMBL17449370 0.77 HPGD (0.46) CHRNB2CHRNA4ALDH1A1KMT2AGAA
SCHEMBL6564811 0.76 ALDH1A1 (0.49) CHRNB2CHRNA4ALDH1A1KMT2AGAA
SCHEMBL4835374 0.74 ALDH1A1 (0.44) CHRNB2CHRNA4ALDH1A1KMT2AHPGD
SCHEMBL4841384 0.73 ALDH1A1 (0.47) CHRNB2CHRNA4ALDH1A1KMT2AGAA
SCHEMBL15988712 0.72 ALDH1A1 (0.51) ALDH1A1KMT2AGAAHPGDGRM5
SCHEMBL29316552 0.72 MEN1 (0.51) ALDH1A1KMT2AMEN1MAPT

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 CHRNB2 1939/4885CHRNA4 1916/4885ALDH1A1 1381/4885

“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.