SCHEMBL272810

SCHEMBL272810

CCCCCCCCCCCC(=O)N(CCCC)C1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.37
KDM5A P29375 5/20 0.37
PHF8 Q9UPP1 4/20 0.37
EPHX2 P34913 3/20 0.35
SRD5A1 P18405 2/20 0.34
KDM4A O75164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
SRD5A2 P31213 1/20 0.34
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL272291 1.00 KDM4C (0.37) KDM4CKDM5APHF8EPHX2SRD5A1
SCHEMBL2369739 0.84 KDM5A (0.33) KDM4CKDM5APHF8EPHX2SRD5A1
SCHEMBL14690418 0.84 KDM5A (0.33) KDM4CKDM5APHF8EPHX2SRD5A1
SCHEMBL4960134 0.82 ALDH1A1 (0.37) SRD5A1ALDH1A1ALOX15
SCHEMBL308455 0.82 SRD5A1 (0.38) SRD5A1ALDH1A1ALOX15
SCHEMBL8430751 0.79 KDM5A (0.38) KDM4CKDM5APHF8EPHX2SRD5A1
SCHEMBL536568 0.78 KDM5A (0.35) KDM4CKDM5APHF8EPHX2SRD5A1
SCHEMBL14690061 0.78 L3MBTL1 (0.32) SRD5A1
SCHEMBL11059443 0.77 EPHX2 (0.37) KDM4CKDM5APHF8EPHX2ALDH1A1
SCHEMBL8850280 0.77 GNAI3 (0.39) KDM4CKDM5APHF8ALDH1A1

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-8134009-B2 Process for the oxidation of secondary amines into the corresponding nitroxides BASF SE (DE) 2012-03-13 US disclosed
US-20100305322-A1 Process for the Oxidation of Secondary Amines into the Corresponding Nitroxides CIBA SPECIALTY CHEMICALS CORPORATION 2010-12-02 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-20100305322-A1 Process for the Oxidation of Secondary Amines into the Corresponding Nitroxides NOS2, NOS1, NOS3 KDM4C 1687/4885KDM5A 659/4885PHF8 344/4885

“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.