SCHEMBL8069779

SCHEMBL8069779

CC(C)(C)CNCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
BCHE P06276 2/20 0.34
KDM4E B2RXH2 1/20 0.32
TYMP P19971 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.31
UPP1 Q16831 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
SCHEMBL11755028 1.00 LMNA (0.36) LMNAALDH1A1BCHEKDM4ETYMP
SCHEMBL21392064 0.84 ALDH1A1 (0.35) LMNAALDH1A1KDM4ETYMP
SCHEMBL18910006 0.79 BCHE (0.36) LMNABCHEKDM4EBACE1
SCHEMBL11524208 0.79 LMNA (0.31) LMNAALDH1A1
SCHEMBL23471378 0.77
SCHEMBL24292513 0.77
SCHEMBL1148704 0.77
Hydrochloric Acid SCHEMBL27915216 0.76 LMNA (0.36) LMNAALDH1A1TYMPTHRBUPP1
SCHEMBL2983074 0.76 LMNA (0.36) LMNAALDH1A1TYMPTHRBCYP2D6
SCHEMBL2232621 0.76 LMNA (0.53) LMNAALDH1A1KDM4ETYMPTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359358-B2 Cyclohexyl azetidine derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-06-07 US disclosed
US-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors INCYTE CORPORATION (US) 2013-02-21 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 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 (2 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-20130045963-A1 Cyclohexyl Azetidine Derivatives as JAK Inhibitors JAK1, JAK2, JAK3 LMNA 4827/4885ALDH1A1 2907/4885BCHE 3101/4885
US-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD LMNA 3549/4885ALDH1A1 3691/4885BCHE 3373/4885

“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.