SCHEMBL22043546

SCHEMBL22043546

CC(C)(C)OC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(NC2CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.67
▸ HDAC8 Q9BY41 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ YAP1 P46937 1/20 0.40
▸ EPHX2 P34913 7/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HCAR3 P49019 1/20 0.36
▸ EPHX1 P07099 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 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
SCHEMBL22043531 0.96 ALOX15 (0.67) ALOX15HDAC8MAPTNPSR1YAP1
SCHEMBL32660002 0.85 ALOX15 (0.54) ALOX15HDAC8NPSR1YAP1EPHX2
SCHEMBL32660005 0.85 ALOX15 (0.54) ALOX15HDAC8NPSR1YAP1EPHX2
SCHEMBL22043870 0.84 ALOX15 (0.52) ALOX15HDAC8YAP1EPHX2CNR2
SCHEMBL23873653 0.83 ALOX15 (0.50) ALOX15HDAC8YAP1EPHX2CNR2
SCHEMBL22043520 0.82 ALOX15 (0.50) ALOX15HDAC8MAPTNPSR1YAP1
SCHEMBL22043521 0.82 ALOX15 (0.48) ALOX15YAP1EPHX2CNR2EPHX1
SCHEMBL22043545 0.82 ALOX15 (0.48) ALOX15MAPTNPSR1YAP1EPHX2
SCHEMBL21996630 0.80 ALOX15 (0.83) ALOX15MAPTNPSR1EPHX2CNR2
SCHEMBL16801481 0.80 ALOX15 (1.00) ALOX15MAPTNPSR1EPHX2CNR2

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-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2024-05-16 — — US disclosed
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-30 — — US disclosed
WO-2020113028-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-06-04 — — 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-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885HDAC8 653/4885MAPT 91/4885
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885HDAC8 653/4885MAPT 91/4885

“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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