SCHEMBL21723145

SCHEMBL21723145

COc1c2oc3c(OC)cc(C(=O)O)cc3nc-2cc(N)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA3 P07451 1/20 0.38
PKM P14618 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
NEK2 P51955 1/20 0.37
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL23772190 0.90 CYP3A4 (0.44) BCL9CTNNB1CA12CA1CA7
SCHEMBL1144545 0.74 CA12 (0.49) TPMTCA12CA1CA7CA9
SCHEMBL21723133 0.73 TPMT (0.45) TPMTCA12CA1CA7CA9
SCHEMBL28496437 0.68 TPMT (0.66) TPMTCA12CA1CA7CA9
SCHEMBL21729886 0.67 TPMT (0.46) TPMTCA12CA1CA7CA9
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.65 TPMT (0.78) TPMTCA12CA1CA7CA9
SCHEMBL12856606 0.65 CA12 (0.50) TPMTCTNNB1CA12CA1CA7
SCHEMBL21723280 0.65 CA12 (0.58) TPMTCA12CA1CA7CA9
3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 0.64 TPMT (0.75) TPMTCA12CA1CA7CA9
3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 0.64 TPMT (0.75) TPMTCA12CA1CA7CA9

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 11 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
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 3284/4885BCL9 1433/4885CTNNB1 3814/4885
US-20250263384-A9 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 TPMT 3284/4885BCL9 1433/4885CTNNB1 3814/4885
US-11731945-B2 Redox-active compounds and uses thereof NOX4, NQO1, GPX1 TPMT 3284/4885BCL9 1433/4885CTNNB1 3814/4885
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 TPMT 3284/4885BCL9 1433/4885CTNNB1 3814/4885

“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.