SCHEMBL19728221

SCHEMBL19728221

CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
DNM1 Q05193 1/20 0.39
KDM5A P29375 3/20 0.38
PHF8 Q9UPP1 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
MGLL Q99685 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10181441 1.00 CA12 (0.41) CA12CA1CA9CA2ALDH1A1
SCHEMBL10727436 0.84 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL10727061 0.84 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL6708723 0.84 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL8015904 0.84 CA12 (0.50) CA12CA1CA9CA2ALDH1A1
SCHEMBL28581792 0.83 LMNA (0.46) CA12CA1CA9CES2CES1
SCHEMBL25129665 0.82 CES2 (0.52) ALDH1A1CES2CES1KDM5APHF8
SCHEMBL25129653 0.82 CES2 (0.52) ALDH1A1CES2CES1KDM5APHF8
SCHEMBL25129396 0.82 CES2 (0.52) ALDH1A1CES2CES1KDM5APHF8
SCHEMBL22605312 0.82 CES2 (0.52) ALDH1A1CES2CES1KDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362283-A1 NISIN-BASED COMPOUNDS AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2017-12-21 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 (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-20170362283-A1 NISIN-BASED COMPOUNDS AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS NISCH, VIP, NGLY1 CA12 2070/4885CA1 4310/4885CA9 2325/4885

“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.