SCHEMBL16801244

SCHEMBL16801244

COC(=O)c1ccc(NC23CC4CC(CC(C4)C2)C3)c(N)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.78
▸ MAPT P10636 6/20 0.57
▸ NPSR1 Q6W5P4 3/20 0.57
▸ EPHX2 P34913 7/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 3/20 0.53
▸ KDM4E B2RXH2 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CNR2 P34972 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL16801481 0.88 ALOX15 (1.00) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL30037475 0.88 ALOX15 (1.00) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL16801352 0.88 ALOX15 (0.71) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL15320704 0.88 ALOX15 (0.71) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL27218065 0.85 ALOX15 (0.67) ALOX15MAPTEPHX2ALDH1A1HPGD
SCHEMBL23096818 0.81 ALOX15 (0.62) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL18134961 0.80 ALOX15 (0.53) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL21996630 0.78 ALOX15 (0.83) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL30792860 0.78 ALOX15 (0.83) ALOX15MAPTNPSR1EPHX2ALDH1A1
SCHEMBL24956407 0.75 ALOX15 (0.47) ALOX15MAPTNPSR1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160297748-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, GPX4 ALOX15 92/4885MAPT 171/4885NPSR1 1251/4885

“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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