SCHEMBL1973741

SCHEMBL1973741

CC(=O)N1CC(=O)c2cc(OCc3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
MAOB P27338 12/20 0.53
MAOA P21397 7/20 0.53
ACACB O00763 1/20 0.50
TOP1 P11387 1/20 0.49
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
SRD5A1 P18405 1/20 0.47
GRM5 P41594 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GSTP1 P09211 1/20 0.45

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
SCHEMBL29637117 1.00 NOTUM (0.54) NOTUMMAOBMAOAACACBTOP1
SCHEMBL14031614 0.78 CYP2D6 (0.47) MAOBMAOAACACBSRD5A1GRM5
SCHEMBL4798515 0.74 HSD17B3 (0.48) MAOBMAOAACACBGRM5ALDH1A1
SCHEMBL4798520 0.74 HSD17B3 (0.48) MAOBMAOAACACBGRM5ALDH1A1
SCHEMBL2524800 0.72 MAOB (0.84) MAOBMAOATOP1GRM5NPC1
SCHEMBL30353268 0.72 MAOB (0.84) MAOBMAOATOP1GRM5NPC1
SCHEMBL17583933 0.71 MAOA (0.52) MAOBMAOAACACBTOP1S1PR1
SCHEMBL30003296 0.71 NOTUM (1.00) NOTUMALDH1A1RAB9A
SCHEMBL29289495 0.71 PARK7 (0.54) MAOBMAOATOP1SRD5A1GRM5
SCHEMBL31419920 0.71 PARK7 (0.54) MAOBMAOATOP1SRD5A1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12502440-B2 Cross-linking compounds and methods of use thereof NORTH CAROLINA STATE UNIVERSITY (US) 2025-12-23 US disclosed
US-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY 2023-01-05 US disclosed
CN-114502171-A Crosslinking compounds and methods of use thereof 北卡罗莱纳州立大学 2022-05-13 CN disclosed
WO-2021016548-A1 POLYIODIDE BINDING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2021-01-28 WO disclosed
WO-2021016537-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2021-01-28 WO disclosed
EP-1809332-B1 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS ONCOLOGIC INC (US) 2011-12-14 EP disclosed
US-20110142756-A1 Method And Composition For The Treatment Of Cancer By The Enzymatic Conversion Of Soluble Radioactive Toxic Precipitates In The Cancer Rose, David S. (US) 2011-06-16 US disclosed
US-7807136-B2 Method and composition for the treatment of cancer by the enzymatic conversion of soluble radioactive toxic precipitates in the cancer Rose, David S. (US) 2010-10-05 US disclosed
US-20100062006-A9 Method and composition for the treatment of cancer by the enzymatic conversion of soluble radioactive toxic precipitates in the cancer MAYERS GEORGE L 2010-03-11 US disclosed
US-7615221-B2 Compositions and methods for treating cancer ONCOLOGIC, INC. (US) 2009-11-10 US disclosed
EP-1809332-A2 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS Oncologic, Inc. (US) 2007-07-25 EP disclosed
WO-2006010165-A2 COMPOSITIONS FOR MULTI-STEP DELIVERY OF HOT-SPOTS RADIATION TO CANCER CELLS ONCOLOGIC, INC. (US) 2006-01-26 WO disclosed
US-20060018908-A1 Compositions and methods for treating cancer ROSE, DAVID STUART 2006-01-26 US disclosed
US-20050058652-A1 Method and composition for the treatment of cancer by the enzymatic conversion of soluble radioactive toxic precipitates in the cancer ROSE, DAVID STUART 2005-03-17 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 (2 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-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF AOX1, MTCL3, COL1A1 NOTUM 1946/4885MAOB 163/4885MAOA 353/4885
US-12502440-B2 Cross-linking compounds and methods of use thereof AOX1, MTCL3, COL1A1 NOTUM 1946/4885MAOB 163/4885MAOA 353/4885

“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.