SCHEMBL4287039

SCHEMBL4287039

C=CCc1cc(NC(=O)NCCCCCCCCCC)n(C(C)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 15/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
EPHX2 P34913 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ASAH1 Q13510 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
SCHEMBL4132120 0.78 CDK8 (0.47) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4011397 0.76 MAPK1 (0.45) EPHX1ALDH1A1HTTEPHX2
SCHEMBL13811322 0.71 CDK8 (0.44) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4145849 0.70 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4132087 0.70 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4135897 0.70 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4132285 0.70 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4137645 0.70 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4127216 0.70 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2ASAH1
SCHEMBL4136924 0.70 MEN1 (0.58) EPHX1ALDH1A1HTTEPHX2ASAH1

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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOUCH BIONICS LIMITED (GB) 2009-07-30 US disclosed
WO-2009077844-A2 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA QUONOVA LLC (US) 2009-06-25 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-20090192192-A1 INHIBITORS OF BIOFILM FORMATION OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA PGLS, TFPI, Q6ZSR9 EPHX1 4403/4885ALDH1A1 4657/4885HTT 3476/4885

“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.