SCHEMBL6280301

SCHEMBL6280301

CCC(C1=CC(NC(=O)OC(C)(C)C)CC1)[PH](=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DRD2 P14416 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BTK Q06187 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
KDM1A O60341 1/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL6283768 0.89 NFKB1 (0.38) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL6285830 0.81 NAAA (0.36) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL6286420 0.75 NFKB1 (0.45) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL25608427 0.72 NFKB1 (0.50) NFKB1NFKB2RELAKMT2AL3MBTL1
SCHEMBL4586907 0.71 NFKB1 (0.41) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL4585524 0.71 NFKB1 (0.46) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL4586708 0.70 NFKB1 (0.40) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL10413343 0.69 NFKB1 (0.49) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL17467742 0.69 NFKB1 (0.49) NFKB1NFKB2RELAKMT2AALDH1A1
SCHEMBL17467814 0.68 NFKB1 (0.48) NFKB1NFKB2RELAKMT2AALDH1A1

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-6962907-B2 Neurologically-active compounds THE UNIVERSITY OF SYDNEY (AU) 2005-11-08 US disclosed
US-20050004083-A1 Neurologically-active compounds NEURO THERAPEUTICS LIMITED (AU) 2005-01-06 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-20050004083-A1 Neurologically-active compounds GABRA2, GABRA5, GABRE NFKB1 483/4885NFKB2 503/4885RELA 994/4885

“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.