SCHEMBL22043870

SCHEMBL22043870

Cc1cc(NC23CC4CC(CC(C4)C2)C3)c(NC2CCCCC2)cc1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.52
▸ HDAC8 Q9BY41 1/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ EPHX2 P34913 7/20 0.35
▸ EPHX1 P07099 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ YAP1 P46937 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PKM P14618 1/20 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
SCHEMBL22043521 0.89 ALOX15 (0.48) ALOX15CNR2EPHX2EPHX1MEN1
SCHEMBL22043545 0.89 ALOX15 (0.48) ALOX15CNR2EPHX2EPHX1MEN1
SCHEMBL22043531 0.84 ALOX15 (0.67) ALOX15HDAC8CNR2EPHX2EPHX1
SCHEMBL22043546 0.84 ALOX15 (0.67) ALOX15HDAC8CNR2EPHX2EPHX1
SCHEMBL22043539 0.81 ALOX15 (0.70) ALOX15CNR2EPHX2MEN1KMT2A
SCHEMBL22043538 0.78 CNR2 (0.37) ALOX15HDAC8CNR2EPHX2EPHX1
SCHEMBL23873653 0.76 ALOX15 (0.50) ALOX15HDAC8CNR2EPHX2EPHX1
SCHEMBL22043520 0.72 ALOX15 (0.50) ALOX15HDAC8EPHX2YAP1
SCHEMBL16579940 0.71 ALOX15 (0.55) ALOX15HDAC8MEN1KMT2AYAP1
SCHEMBL32660002 0.70 ALOX15 (0.54) ALOX15HDAC8EPHX2YAP1L3MBTL1

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 653/4885CNR2 2260/4885
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885HDAC8 653/4885CNR2 2260/4885

“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.

Send feedback