SCHEMBL22009237

SCHEMBL22009237

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL30783488 0.89 CXCR4 (0.41) CXCR4TP53KDM4EALDH1A1HTT
SCHEMBL22009115 0.89 CXCR4 (0.41) CXCR4TP53KDM4EALDH1A1HTT
SCHEMBL22009247 0.86 CD274 (0.40) BCHEACHESMN1; SMN2TP53NPC1
SCHEMBL26908067 0.84 CXCR4 (0.49) CXCR4BCHEACHESMN1; SMN2TP53
SCHEMBL26360845 0.81 CXCR4 (0.38) CXCR4TP53KDM4EALDH1A1EPHX2
SCHEMBL26908084 0.80 CXCR4 (0.44) CXCR4BCHEACHESMN1; SMN2TP53
SCHEMBL31721094 0.80 BRD4 (0.44) CXCR4BCHEACHEEPHX2
SCHEMBL22167005 0.80 CXCR4 (0.61) CXCR4BCHEACHESMN1; SMN2TP53
SCHEMBL23140153 0.80 CXCR4 (0.46) CXCR4BCHEACHESMN1; SMN2TP53
SCHEMBL26241418 0.80 CXCR4 (0.49) CXCR4BCHEACHESMN1; SMN2TP53

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 4 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-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER CORNELL UNIVERSITY (US) 2022-01-20 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 (4 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 CXCR4 2897/4885BCHE 2837/4885ACHE 1972/4885
US-20200157087-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CXCR4 2897/4885BCHE 2837/4885ACHE 1972/4885
US-20220016277-A1 MACROCYCLIC COMPLEXES OF RADIONUCLIDES AND THEIR USE IN RADIOTHERAPY OF CANCER PSMA1, KLK3, FOLH1 CXCR4 2732/4885BCHE 3458/4885ACHE 2541/4885
US-20220177461-A1 MACROCYCLIC COMPLEXES OF ALPHA-EMITTING RADIONUCLIDES AND THEIR USE IN TARGETED RADIOTHERAPY OF CANCER PSMA1, FOLH1, KLK3 CXCR4 2897/4885BCHE 2837/4885ACHE 1972/4885

“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.