SCHEMBL21723133

SCHEMBL21723133

COc1cc(C(=O)O)cc2nc3cc(O)c(=O)cc-3oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.45
PTGS2 P35354 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
PKM P14618 2/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ACHE P22303 1/20 0.40
PLK1 P53350 1/20 0.40
BACE1 P56817 1/20 0.40
HTT P42858 1/20 0.40
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39

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
SCHEMBL1144545 0.75 CA12 (0.49) TPMTPTGS2CA12CA1CA7
SCHEMBL21723145 0.73 TPMT (0.41) TPMTPTGS2CA12CA1CA7
SCHEMBL12856606 0.66 CA12 (0.50) TPMTPTGS2CA12CA1CA7
SCHEMBL21723280 0.65 CA12 (0.58) TPMTPTGS2CA12CA1CA7
SCHEMBL21729840 0.65 PTGS2 (0.54) TPMTPTGS2CA12CA1CA7
SCHEMBL21729812 0.64 CA12 (0.56) TPMTPTGS2CA12CA1CA7
SCHEMBL19438782 0.64 PTGS2 (0.53) TPMTPTGS2CA12CA1CA7
SCHEMBL503998 0.64 TPMT (1.00) TPMTPTGS2CA12CA1CA7
SCHEMBL30240911 0.64 TPMT (1.00) TPMTPTGS2CA12CA1CA7
SCHEMBL1144796 0.64 KDM4E (0.46) CA12CA1CA7CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 US claimed
EP-3837246-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBlu Projekt AG (DE) 2021-06-23 EP claimed
WO-2020035548-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2020-02-20 WO claimed
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU ENERGY AG (DE) 2025-08-21 US disclosed
US-20240124405-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJECKT AG (DE) 2024-04-18 US disclosed
US-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 US disclosed
US-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 US disclosed
US-11731945-B2 Redox-active compounds and uses thereof CMBLU ENERGY AG (DE) 2023-08-22 US disclosed
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 US disclosed
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-08-19 US disclosed
EP-3837246-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBlu Projekt AG (DE) 2021-06-23 EP disclosed
WO-2020035548-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2020-02-20 WO disclosed
WO-2020035548-A2 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2020-02-20 WO 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-20240124405-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 TPMT 3284/4885PTGS2 1546/4885CA12 1993/4885
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 TPMT 3284/4885PTGS2 1546/4885CA12 1993/4885
US-11731945-B2 Redox-active compounds and uses thereof NOX4, NQO1, GPX1 TPMT 3284/4885PTGS2 1546/4885CA12 1993/4885
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 TPMT 3284/4885PTGS2 1546/4885CA12 1993/4885

“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.