SCHEMBL6286522

SCHEMBL6286522

CCCNC(=O)C(C)(C)NCC(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.43
KDM4C Q9H3R0 1/20 0.43
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 1/20 0.33
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12733375 0.75 KDM4C (0.48) EPHX1KDM4CKMT2AMEN1MMP1
SCHEMBL8237341 0.74 KDM4C (0.47) EPHX1KDM4CKMT2AMEN1MMP1
SCHEMBL5988047 0.73 EPHX1 (0.50) EPHX1KDM4CKMT2AMEN1MMP1
SCHEMBL25027534 0.72 KDM4C (0.50) EPHX1KDM4CKMT2AMEN1MMP1
SCHEMBL2293893 0.72 KDM4C (0.48) EPHX1KDM4CKMT2AMMP1MMP2
SCHEMBL24670688 0.70 DNM1 (0.49) EPHX1KDM4CCNR1CNR2ALDH1A1
SCHEMBL6285313 0.70 TSHR (0.41) KDM4CCNR1CNR2ALDH1A1
SCHEMBL993779 0.70 EPHX1 (0.69) EPHX1KDM4CKMT2AMEN1MMP1
SCHEMBL21779912 0.69 EPHX1 (0.47) EPHX1KDM4CKMT2AMEN1MMP1
SCHEMBL6286532 0.69 KDM4C (0.43) EPHX1KDM4CKMT2AMEN1CNR1

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 5 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
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 EPHX1 174/4885KDM4C 668/4885KMT2A 2491/4885

“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.