SCHEMBL3269723

SCHEMBL3269723

CCN(CCC(C)C)C([O])=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
HTR1A P08908 1/20 0.32
SLC22A1 O15245 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH2 P05091 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
SCHEMBL2337599 0.88 CA1 (0.41) CA1CA12CA9CA2ALDH1A1
SCHEMBL3269727 0.82 CA1 (0.37) CA1CA12CA9CA2ALDH1A1
SCHEMBL17226509 0.82 CA1 (0.37) CA1CA12CA9CA2ALDH1A1
SCHEMBL969490 0.81 CA1 (0.50) CA1CA12CA9CA2ALDH1A1
SCHEMBL24370669 0.80 CA1 (0.35) CA1CA12CA9CA2ALDH1A1
SCHEMBL20285663 0.80 LMNA (0.38) CA1CA12CA9CA2ALDH1A1
SCHEMBL22305185 0.80 CA1 (0.35) CA1CA12CA9CA2ALDH1A1
SCHEMBL5200720 0.80 CA1 (0.35) CA1CA12CA9CA2ALDH1A1
SCHEMBL17662553 0.78 ALDH1A1 (0.38) CA1CA12CA9CA2ALDH1A1
SCHEMBL304559 0.77 MC4R (0.35) CA1CA12CA9CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 CA1 418/4885CA12 125/4885CA9 326/4885

“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.