SCHEMBL13246780

SCHEMBL13246780

CCCCCCCC(C)C(=O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
ACE2 Q9BYF1 1/20 0.50
CA2 P00918 1/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GPR84 Q9NQS5 7/20 0.45
FDPS P14324 3/20 0.45
MAPT P10636 1/20 0.44
LCK P06239 1/20 0.44
PPARD Q03181 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44

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
SCHEMBL3833078 1.00 CA1 (0.55) CA1ACE2CA2FFAR1FFAR4
SCHEMBL28266427 1.00 CA1 (0.55) CA1ACE2CA2FFAR1FFAR4
SCHEMBL20286521 0.98 CA1 (0.57) CA1ACE2CA2FFAR1FFAR4
SCHEMBL14519745 0.91 CA1 (0.48) CA1ACE2CA2FFAR4FDPS
SCHEMBL19245747 0.83 CA2 (0.55) ACE2CA2FFAR1FFAR4GPR84
SCHEMBL19388762 0.83 CA2 (0.55) ACE2CA2FFAR1FFAR4GPR84
SCHEMBL26304628 0.83 CA2 (0.55) ACE2CA2FFAR1FFAR4GPR84
SCHEMBL25834794 0.83 CA2 (0.55) ACE2CA2FFAR1FFAR4GPR84
SCHEMBL14519713 0.82 CHRM1 (0.39) CA1CA2FDPS
SCHEMBL28772295 0.81 CA1 (0.48) CA1ACE2CA2FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
US-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
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 (3 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA1 4316/4885ACE2 3918/4885CA2 2748/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA1 4316/4885ACE2 3918/4885CA2 2748/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA1 4316/4885ACE2 3918/4885CA2 2748/4885

“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.