SCHEMBL19245014

SCHEMBL19245014

CCOC(=O)c1ccc(NC2CCCCC2)c(C)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.77
BRD4 O60885 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
MAPT P10636 2/20 0.51
PTGER4 P35408 1/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
STS P08842 1/20 0.48
LMNA P02545 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CASP3 P42574 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL19245015 0.99 ALOX15 (0.75) ALOX15BRD4HDAC8MAPTPTGER4
SCHEMBL19245016 0.96 ALOX15 (0.71) ALOX15BRD4HDAC8MAPTPTGER4
SCHEMBL19245017 0.93 ALOX15 (0.67) ALOX15BRD4MAPTPTGER4ALDH1A1
SCHEMBL19245019 0.88 ALOX15 (0.61) ALOX15BRD4MAPTPTGER4ALDH1A1
SCHEMBL16579935 0.88 ALOX15 (0.60) ALOX15HDAC8MAPTALDH1A1SMN1; SMN2
SCHEMBL16801834 0.87 ALOX15 (0.74) ALOX15BRD4HDAC8MAPTPTGER4
SCHEMBL16579943 0.87 ALOX15 (0.60) ALOX15BRD4MAPTPTGER4ALDH1A1
SCHEMBL19245334 0.87 ALOX15 (0.63) ALOX15BRD4MAPTPTGER4ALDH1A1
SCHEMBL15320214 0.87 ALOX15 (1.00) ALOX15BRD4HDAC8MAPTPTGER4
SCHEMBL2032512 0.87 ALOX15 (1.00) ALOX15BRD4HDAC8MAPTPTGER4

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170233370-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 93/4885BRD4 2066/4885HDAC8 721/4885

“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.