SCHEMBL12829288

SCHEMBL12829288

CC(C)CCCON(O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13416334 0.93 LMNA (0.40) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL12829287 0.91 LMNA (0.39) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL12828959 0.91 LMNA (0.39) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL13416548 0.76 CA12 (0.34) CA12CA1CA2CA9ALDH1A1
SCHEMBL25066917 0.75 LMNA (0.42) LMNAKDM4CKDM4APHF8KDM2A
SCHEMBL10063284 0.74
SCHEMBL12829145 0.72 ACE2 (0.32) LMNA
SCHEMBL24925044 0.71 ALDH1A1 (0.33) LMNAALDH1A1
SCHEMBL8302984 0.70
SCHEMBL11472453 0.70

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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2011-03-31 US disclosed
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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-20110077279-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR1, AGTR2, AGT LMNA 4141/4885KDM4C 4110/4885KDM4A 3012/4885
US-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 LMNA 4585/4885KDM4C 4487/4885KDM4A 4028/4885

“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.