SCHEMBL6281966

SCHEMBL6281966

CCCC(C)(C)NC(=O)CNC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.33
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
EPHX1 P07099 1/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GRK2 P25098 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL24709973 0.83 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EL3MBTL1EPHX1
SCHEMBL8736888 0.80 ALDH1A1 (0.69) ALDH1A1HPGDKDM4EL3MBTL1EPHX1
SCHEMBL10101586 0.80 MAPT (0.39) ALDH1A1HPGDDPP4DPP8DPP9
SCHEMBL19245501 0.78 ALDH1A1 (0.60) ALDH1A1HPGDL3MBTL1LMNAMEN1
SCHEMBL15498405 0.77 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EL3MBTL1EPHX1
SCHEMBL5907624 0.76 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL21162583 0.75 ALDH1A1 (0.56) ALDH1A1HPGDL3MBTL1LMNAMEN1
SCHEMBL15961859 0.73 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EL3MBTL1EPHX1
SCHEMBL25997951 0.73 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EL3MBTL1EPHX1
SCHEMBL15498413 0.73 ALDH1A1 (0.55) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841703-B2 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-11 US disclosed
EP-1100772-B1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SC HOLDING AG (CH) 2004-04-14 EP disclosed
US-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators NESVADBA PETER (CH) 2003-07-03 US disclosed
US-6518326-B1 Open chain alkoxyamine compounds and their use as polymerization regulators CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 US disclosed
EP-1100772-A1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS Ciba SC Holding AG (CH) 2001-05-23 EP disclosed
WO-2000007981-A1 OPEN CHAIN ALKOXYAMINE COMPOUNDS AND THEIR USE AS POLYMERIZATION REGULATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-02-17 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-20030125489-A1 Open chain alkoxyamine compounds and their use as polymerization regulators ALOX5, PTGER1, ALOX12 ALDH1A1 290/4885HPGD 1718/4885DPP4 4818/4885

“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.