SCHEMBL15326450

SCHEMBL15326450

CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2cccc(OC)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.79
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.48
▸ PPM1D O15297 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SLC26A6 Q9BXS9 1/20 0.44
▸ CASP3 P42574 1/20 0.44

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
SCHEMBL15320760 0.91 ALOX15 (0.76) ALOX15POLBALDH1A1MAPTHDAC8
SCHEMBL15319696 0.89 ALOX15 (0.80) ALOX15ALDH1A1MAPTPPM1DSMN1; SMN2
SCHEMBL15320680 0.88 ALOX15 (1.00) ALOX15POLBMAPTHDAC8PPM1D
SCHEMBL16577146 0.88 ALOX15 (0.71) ALOX15POLBALDH1A1MAPTHDAC8
SCHEMBL15320811 0.88 ALOX15 (0.80) ALOX15POLBPPM1DSLC26A6CASP3
SCHEMBL15320892 0.88 ALOX15 (0.80) ALOX15MAPTPPM1DSMN1; SMN2LMNA
SCHEMBL15320847 0.86 ALOX15 (0.88) ALOX15POLBALDH1A1MAPTHDAC8
SCHEMBL15321037 0.86 ALOX15 (0.80) ALOX15POLBHDAC8PPM1DSMN1; SMN2
SCHEMBL15320804 0.85 ALOX15 (0.83) ALOX15POLBALDH1A1MAPTPPM1D
SCHEMBL15321088 0.84 ALOX15 (0.84) ALOX15POLBALDH1A1MAPTHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-12-07 — — US disclosed
EP-3791870-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS The Trustees of Columbia University in the City of New York (US) 2021-03-17 — — EP disclosed
EP-3384908-B1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS UNIV COLUMBIA (US) 2020-09-30 — — EP disclosed
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-24 — — US disclosed
US-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-09-26 — — US disclosed
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-05-09 — — US disclosed
US-10259775-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-16 — — US disclosed
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-03-19 — — US disclosed
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-08-17 — — US disclosed
US-9580398-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-02-28 — — US disclosed
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2016-10-13 — — US disclosed
WO-2015084749-A1 MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-06-11 — — WO disclosed
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 — — US disclosed
WO-2013152039-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-10 — — 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 (9 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-10259775-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 92/4885POLB 4678/4885ALDH1A1 905/4885
US-10597381-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 93/4885POLB 4782/4885ALDH1A1 1311/4885
US-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 ALOX15 86/4885POLB 4651/4885ALDH1A1 897/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 93/4885POLB 4782/4885ALDH1A1 1311/4885
US-10233171-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 93/4885POLB 4782/4885ALDH1A1 1311/4885
US-20190292135-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 92/4885POLB 4678/4885ALDH1A1 905/4885
US-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 92/4885POLB 4678/4885ALDH1A1 905/4885
US-20190135782-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 93/4885POLB 4782/4885ALDH1A1 1311/4885
US-11192849-B2 Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders AIFM2, GPX1, GPX4 ALOX15 92/4885POLB 4678/4885ALDH1A1 905/4885

“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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