SCHEMBL22929002

SCHEMBL22929002

CC(C)(C)OC(=O)NCC(=O)NCCCCCCO

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.78
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
NAAA Q02083 1/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 6/20 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
SCHEMBL3311637 0.98 TDP1 (0.75) TDP1MAOAMAOBCA12CA1
SCHEMBL14723706 0.93 TDP1 (0.66) TDP1MAOAMAOBCA12CA1
SCHEMBL4439416 0.91 TDP1 (0.65) TDP1MAOAMAOBCA12CA1
SCHEMBL133020 0.88 TDP1 (1.00) TDP1MAOAMAOBCA12CA1
SCHEMBL2819924 0.88 TDP1 (1.00) TDP1MAOAMAOBCA12CA1
SCHEMBL5193445 0.88 TDP1 (1.00) TDP1MAOAMAOBCA12CA1
SCHEMBL7908254 0.88 TDP1 (1.00) TDP1MAOAMAOBCA12CA1
SCHEMBL22777078 0.88 TDP1 (1.00) TDP1MAOAMAOBCA12CA1
SCHEMBL5133849 0.88 TDP1 (1.00) TDP1MAOAMAOBCA12CA1
SCHEMBL15508929 0.88 TDP1 (1.00) TDP1MAOAMAOBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2023-06-22 US disclosed
EP-3770180-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND Mochida Pharmaceutical Co., Ltd. (JP) 2021-01-27 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 (1 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-20230190943-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND ALG1, ALG8, ALG3 TDP1 2939/4885MAOA 2485/4885MAOB 2663/4885

“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.