SCHEMBL7283128

SCHEMBL7283128

CC(C)(C)OC(=O)NCCCCCCCCC[C]=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.67
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
CA12 O43570 6/20 0.54
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA9 Q16790 6/20 0.54
CYP3A4 P08684 1/20 0.42
EPHX1 P07099 2/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
DRD2 P14416 2/20 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
SCHEMBL9215977 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL9225093 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL17372814 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3240917 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7282335 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL7282098 1.00 TDP1 (0.67) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL6448286 0.98 TDP1 (0.64) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL6650033 0.93 TDP1 (0.61) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL134329 0.87 TDP1 (0.85) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL136815 0.87 TDP1 (0.85) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10556856-B2 Antibacterial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-02-11 US disclosed
US-20190119199-A1 Antibacterial Agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-04-25 US disclosed
US-10138203-B2 Antibacterial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-11-27 US disclosed
US-20170217878-A1 ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-03 US disclosed
WO-2015195563-A1 ANTIBACTERIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-12-23 WO disclosed
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0418696-A2 Derivatives of aminoacids MERCK PATENT GmbH (DE) 1991-03-27 EP disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP 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-10556856-B2 Antibacterial agents RPS4Y1, RPS4X, MRPL21 TDP1 4092/4885MAOA 2422/4885MAOB 2787/4885
US-20170217878-A1 ANTIBACTERIAL AGENTS RPS4Y1, RPS4X, MRPL21 TDP1 3873/4885MAOA 2085/4885MAOB 2599/4885
US-20190119199-A1 Antibacterial Agents RPS4Y1, RPS4X, MRPL21 TDP1 4092/4885MAOA 2422/4885MAOB 2787/4885
US-10138203-B2 Antibacterial agents RPS4Y1, RPS4X, MRPL21 TDP1 3873/4885MAOA 2085/4885MAOB 2599/4885

“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.