SCHEMBL13246781

SCHEMBL13246781

CCCCCCCCCC(C)NC(=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
MLYCD O95822 1/20 0.47
ACE2 Q9BYF1 1/20 0.46
ASAH1 Q13510 1/20 0.46
FAAH O00519 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.43
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
CA1 P00915 1/20 0.41
EPHX1 P07099 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL26504336 0.92 TAS1R3 (0.46) MLYCDASAH1MAPK1CA2CA1
SCHEMBL23613007 0.84 ALDH1A1 (0.43) ASAH1FAAHMEN1MAPK1KMT2A
SCHEMBL18287167 0.84 MLYCD (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7045874 0.81 MLYCD (0.57) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14399546 0.80 MLYCD (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2483687 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8701696 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4021033 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7217246 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4016357 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7

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-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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 (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-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ADH1B 4781/4885ADH1C 4681/4885ADH1A 4680/4885

“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.