SCHEMBL31206239

SCHEMBL31206239

CC(C)(C)OC(=O)NC1CCCC(Nc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.54
EPHX2 P34913 2/20 0.49
EPHX1 P07099 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 2/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL31205937 0.95 KDM1A (0.47) BTKEPHX2EPHX1L3MBTL1KMT2A
SCHEMBL31206071 0.90 L3MBTL1 (0.44) BTKEPHX2EPHX1L3MBTL1KMT2A
SCHEMBL25741441 0.87 BTK (0.60) BTKEPHX2L3MBTL1KMT2AKDM1A
SCHEMBL25741442 0.87 BTK (0.60) BTKEPHX2L3MBTL1KMT2AKDM1A
SCHEMBL25039551 0.87 EPHX2 (0.50) BTKEPHX2EPHX1L3MBTL1KMT2A
SCHEMBL16013864 0.86 BTK (0.56) BTKEPHX2EPHX1L3MBTL1KMT2A
SCHEMBL6156813 0.84 BTK (0.51) BTKEPHX1L3MBTL1KMT2AKDM1A
SCHEMBL6156811 0.84 BTK (0.51) BTKEPHX1L3MBTL1KMT2AKDM1A
SCHEMBL31205967 0.83 KDM1A (0.44) BTKEPHX2L3MBTL1KMT2AKDM1A
SCHEMBL25041996 0.82 EPHX1 (0.50) BTKEPHX2EPHX1KMT2AGAA

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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 BTK 3650/4885EPHX2 1958/4885EPHX1 1233/4885

“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.