SCHEMBL21729843

SCHEMBL21729843

COC1=CC(=O)C(N(C)CCO)=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.34
▸ IDO1 P14902 5/20 0.33

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
SCHEMBL8049321 0.86 ALDH1A1 (0.39) KDM4EMAPTALDH1A1THRBBLM
SCHEMBL21723140 0.80 ERBB2 (0.45) ALOX5KDM4ECYP3A4MAPTALOX15
SCHEMBL17751335 0.76 CES1 (0.33) ALOX5MAPTALDH1A1THRBBLM
SCHEMBL8756842 0.72 ALDH1A1 (0.35) KDM4EMAPTMEN1ALDH1A1HPGD
SCHEMBL49737 0.71 ERBB2 (0.62) ALOX5KDM4ECYP3A4MAPTALOX15
SCHEMBL28856262 0.69 ERBB2 (0.59) ALOX5KDM4ECYP3A4MAPTALOX15
SCHEMBL15039377 0.68 KDR (0.36) CYP3A4MAPTMEN1ALDH1A1KMT2A
SCHEMBL10312241 0.67 ERBB2 (0.43) ALOX5KDM4ECYP3A4MAPTALOX15
SCHEMBL15039374 0.67 DNM1 (0.61) KDM4EMAPTMEN1ALDH1A1TP53
SCHEMBL15039382 0.66 DNM1 (0.44) KDM4ECYP3A4MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-11731945-B2 Redox-active compounds and uses thereof NOX4, NQO1, GPX1 ALOX5 290/4885KDM4E 946/4885CYP3A4 368/4885
US-20210253540-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF NOX4, NQO1, GPX1 ALOX5 290/4885KDM4E 946/4885CYP3A4 368/4885

“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.

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