SCHEMBL22451974

SCHEMBL22451974

COC(=O)c1cccc(CN(Cc2cc(OCc3ccccc3)cc(CN(Cc3cccc(C(=O)OC)n3)Cc3cccc(C(=O)OC)n3)n2)Cc2cccc(C(=O)OC)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.45
MRGPRX4 Q96LA9 2/20 0.45
PDE5A O76074 3/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGER1 P34995 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGES O14684 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
MAOB P27338 1/20 0.41
BRD4 O60885 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
SCHEMBL26966747 0.88 PTGER1 (0.40) FAAHPDE5APTGER1MEN1KMT2A
SCHEMBL22451836 0.84 BRD4 (0.49) MRGPRX4BRD4
SCHEMBL29683735 0.84 BRD4 (0.49) MRGPRX4BRD4
SCHEMBL22451971 0.83 MRGPRX4 (0.49) MRGPRX4HPGDL3MBTL1
SCHEMBL22451837 0.83 MRGPRX4 (0.49) MRGPRX4BRD4
SCHEMBL15865609 0.80 BRD4 (0.47) MRGPRX4L3MBTL1BRD4
SCHEMBL12454120 0.79 BRD4 (0.46) MRGPRX4L3MBTL1BRD4
SCHEMBL3534571 0.78 LMNA (0.55) FAAHLMNAHPGDMEN1KMT2A
SCHEMBL31288949 0.77 PDE5A (0.61) MRGPRX4PDE5APDE1APDE1BPDE1C
SCHEMBL16108509 0.77 LMNA (0.50) FAAHLMNAHPGDPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160908-A1 CHELATORS AND METHODS OF MAKING AND USING SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-05-26 US disclosed
US-20220160908-A1 CHELATORS AND METHODS OF MAKING AND USING SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-05-26 US disclosed
WO-2020186328-A1 CHELATORS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-09-24 WO 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-20220160908-A1 CHELATORS AND METHODS OF MAKING AND USING SAME TFRC, SLC40A1, FOLH1 FAAH 2302/4885MRGPRX4 1100/4885PDE5A 3390/4885

“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.