SCHEMBL15326534

SCHEMBL15326534

CCOC(=O)c1ccc(C2CCCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 9/20 0.54
MAPT P10636 3/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
POLB P06746 4/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 1/20 0.53
PTGER4 P35408 1/20 0.51
HPGD P15428 1/20 0.49
THRB P10828 3/20 0.48
PPARG P37231 2/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL11240097 0.88 ALDH1A1 (0.44) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL11225180 0.88 ALDH1A1 (0.44) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL11226084 0.87 MAPT (0.43) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL14800306 0.86 KMT2A (0.51) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL3901403 0.86 HPGD (0.65) KMT2AALDH1A1MAPTPOLBLMNA
SCHEMBL27953270 0.84 HSP90AA1 (0.44) KMT2AALDH1A1RAB9ANPC1POLB
SCHEMBL12488269 0.82 HPGD (0.59) KMT2AALDH1A1MAPTPOLBLMNA
SCHEMBL11677038 0.82 HSP90AA1 (0.47) KMT2AALDH1A1MAPTPKMPOLB
SCHEMBL7313448 0.82 HSP90AA1 (0.47) KMT2AALDH1A1MAPTPKMPOLB
Ethoxycarbonyl Group SCHEMBL27911635 0.82 KMT2A (0.47) KMT2AALDH1A1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
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 (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-20150079035-A1 Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders AIFM2, GPX1, GPX4 KMT2A 2411/4885ALDH1A1 897/4885MAPT 157/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 KMT2A 2204/4885ALDH1A1 1311/4885MAPT 88/4885

“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.