SCHEMBL22009247

SCHEMBL22009247

COC(=O)c1cccc(CN2CCOCCOCCN(Cc3cc(OCCc4ccc(NC(=O)OC(C)(C)C)cc4)cc(C(=O)OC)n3)CCOCCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 1/20 0.40
DRD2 P14416 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ABL1 P00519 1/20 0.38
KCNH2 Q12809 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 1/20 0.37
F10 P00742 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL26360850 0.91 DRD2 (0.40) CD274SMN1; SMN2MAPK1DRD2L3MBTL1
SCHEMBL22009237 0.86 CXCR4 (0.39) SMN1; SMN2MAPK1L3MBTL1ALDH1A1LMNA
SCHEMBL31721094 0.86 BRD4 (0.44) DRD2BCHEACHE
SCHEMBL22009251 0.80 CYP17A1 (0.42) DRD2F10
SCHEMBL26908058 0.80 BCHE (0.41) CD274SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL24454240 0.80 CYP17A1 (0.38) SMN1; SMN2DRD2NPC1RAB9ATP53
SCHEMBL22009250 0.80 CYP17A1 (0.46) DRD2F10
SCHEMBL22009252 0.79 CYP17A1 (0.41) DRD2F10
SCHEMBL29672670 0.78 CD274 (0.41) CD274SMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL24418305 0.78 CD274 (0.41) CD274SMN1; SMN2MAPK1ALDH1A1LMNA

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-20220185803-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-06-16 US disclosed
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-06-09 US disclosed
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2020-05-21 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 (3 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-20220185803-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CD274 201/4885SMN1; SMN2 1817/4885MAPK1 3312/4885
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CD274 201/4885SMN1; SMN2 1817/4885MAPK1 3312/4885
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CD274 201/4885SMN1; SMN2 1817/4885MAPK1 3312/4885

“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.