SCHEMBL16577146

SCHEMBL16577146

CCOC(=O)c1ccc(NC2CCCCC2)c(NCc2cc(CO)cc(OC)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.71
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CASP3 P42574 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PPM1D O15297 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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 0.94 ALOX15 (0.76) ALOX15HPGDSMN1; SMN2CASP3BRD4
SCHEMBL15319696 0.89 ALOX15 (0.80) ALOX15HPGDSMN1; SMN2CASP3BRD4
SCHEMBL15326450 0.88 ALOX15 (0.79) ALOX15HPGDSMN1; SMN2CASP3HDAC8
SCHEMBL15320847 0.85 ALOX15 (0.88) ALOX15HPGDSMN1; SMN2BRD4PTGER4
SCHEMBL15320804 0.84 ALOX15 (0.83) ALOX15HPGDSMN1; SMN2BRD4PTGER4
SCHEMBL15320844 0.84 ALOX15 (0.78) ALOX15HPGDSMN1; SMN2CASP3BRD4
SCHEMBL15320680 0.83 ALOX15 (1.00) ALOX15SMN1; SMN2CASP3BRD4PTGER4
SCHEMBL15321088 0.83 ALOX15 (0.84) ALOX15HPGDSMN1; SMN2CASP3BRD4
SCHEMBL15326449 0.82 ALOX15 (0.75) ALOX15HPGDSMN1; SMN2CASP3BRD4
SCHEMBL19239515 0.82 ALOX15 (0.78) ALOX15HPGDSMN1; SMN2BRD4PTGER4

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-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-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

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 ALOX15 86/4885HPGD 516/4885SMN1; SMN2 434/4885
US-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 93/4885HPGD 776/4885SMN1; SMN2 267/4885

“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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