SCHEMBL29316505

SCHEMBL29316505

Cc1ccc(OCCOCCOCCS)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
DRD4 P21917 6/20 0.48
DRD3 P35462 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KCNH2 Q12809 2/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
LMNA P02545 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL29316476 1.00 DRD2 (0.48) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL12570290 0.89 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL12570286 0.89 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL31201179 0.89 KDM4E (0.48) L3MBTL1SLC6A4KDM4EMAPK1TDP1
SCHEMBL8675393 0.89 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL12570291 0.89 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL4239666 0.89 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL16183163 0.87 DRD2 (0.55) DRD2DRD4DRD3L3MBTL1HPGD
SCHEMBL12570294 0.83 DRD2 (0.57) DRD2DRD4DRD3L3MBTL1ALDH1A1
SCHEMBL313373 0.82 DRD2 (0.64) DRD2DRD4DRD3L3MBTL1HPGD

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 DRD2 1013/4885DRD4 1341/4885DRD3 1058/4885

“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.