SCHEMBL13246798

SCHEMBL13246798

CCCCCCOc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
PLA2G4B P0C869 6/20 0.67
RARB P10826 3/20 0.63
PLA2G4A P47712 1/20 0.60
THRA P10827 2/20 0.57
THRB P10828 2/20 0.57
GAA P10253 1/20 0.57
NR5A1 Q13285 1/20 0.57

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
SCHEMBL15503238 1.00 TP53 (0.69) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246799 1.00 TP53 (0.69) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246802 1.00 TP53 (0.69) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246800 1.00 TP53 (0.69) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246801 1.00 TP53 (0.69) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246836 0.95 RARB (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246833 0.95 RARB (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246840 0.95 RARB (0.71) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL11892064 0.94 RARB (0.68) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL13246825 0.94 RARB (0.68) TP53TSHRPLA2G4BRARBPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 4408/4885TSHR 4677/4885PLA2G4B 1406/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 TP53 4408/4885TSHR 4677/4885PLA2G4B 1406/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 TP53 4408/4885TSHR 4677/4885PLA2G4B 1406/4885

“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.