SCHEMBL6285313

SCHEMBL6285313

CC(C)(O)CNC(C)(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4C Q9H3R0 1/20 0.38
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 2/20 0.32
MAPT P10636 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.30
PIK3CD O00329 1/20 0.30
CNR1 P21554 4/20 0.30
CNR2 P34972 4/20 0.30
TRPA1 O75762 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL31143215 0.83 KDM4C (0.36) TSHRALDH1A1KDM4CCYP2D6CYP2C19
SCHEMBL14926725 0.82 KDM4C (0.39) TSHRALDH1A1KDM4CHMGCRCHRM1
SCHEMBL10719108 0.74 TSHR (0.42) TSHRALDH1A1KDM4CHMGCRCHRM1
SCHEMBL1134031 0.74
Hydrochloric Acid SCHEMBL22987133 0.72 KDM4C (0.43) TSHRALDH1A1KDM4CHMGCRCHRM1
Hydrochloric Acid SCHEMBL109329 0.72 TSHR (0.40) TSHRALDH1A1KDM4CHMGCRCHRM1
SCHEMBL6286522 0.70 EPHX1 (0.43) ALDH1A1KDM4CCNR1CNR2
SCHEMBL2555427 0.70 KDM4C (0.42) TSHRALDH1A1KDM4CCYP2D6CYP2C19
SCHEMBL23948699 0.70 KDM4C (0.57) TSHRALDH1A1KDM4CCYP2D6CYP2C19
SCHEMBL1091686 0.69 NPSR1 (0.41) ALDH1A1

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 TSHR 4771/4885ALDH1A1 290/4885KDM4C 668/4885

“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.