SCHEMBL18604607

SCHEMBL18604607

CC(C)(C)OC(=O)NCCCCCCCCCCCCBr

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.71
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 1/20 0.57
CA12 O43570 6/20 0.56
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA9 Q16790 6/20 0.56
EPHX1 P07099 2/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
DRD2 P14416 4/20 0.42

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
SCHEMBL21596987 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL6449941 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7292779 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17286185 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1041731 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL1149061 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19460948 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL26634879 1.00 TDP1 (0.71) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL229087 0.98 TDP1 (0.68) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7434 0.92 TDP1 (0.65) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023055952-A1 NEUROTROPHIC TYROSINE RECEPTOR KINASE (NTRK) DEGRADING COMPOUNDS C4 THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed
US-10994016-B2 Graphene oxide mediated cellular delivery of gadolinium-labeled molecules NORTHWESTERN UNIVERSITY (US) 2021-05-04 US disclosed
US-20200362174-A1 COMPOUNDS AND METHODS FOR OPTICAL SENSING OF ELECTRICAL ACTIVITY IN BIOLOGICAL SYSTEMS UNIVERSITY OF CONNECTICUT 2020-11-19 US disclosed
US-20200362174-A1 COMPOUNDS AND METHODS FOR OPTICAL SENSING OF ELECTRICAL ACTIVITY IN BIOLOGICAL SYSTEMS UNIVERSITY OF CONNECTICUT 2020-11-19 US disclosed
CN-110452314-A Anoxic sensitivity response type chitosan nitroimidazole grafting and preparation and application UNIV ZHEJIANG 2019-11-15 CN disclosed
US-20170074859-A1 Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
US-20170074859-A1 Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 US disclosed
US-20170074859-A1 Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-16 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-10994016-B2 Graphene oxide mediated cellular delivery of gadolinium-labeled molecules GZMB, GCG, GLMN TDP1 4111/4885MAOA 2362/4885MAOB 1427/4885
US-20170074859-A1 Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules CD44, EPCAM, VIM TDP1 4616/4885MAOA 2648/4885MAOB 1846/4885

“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.