SCHEMBL13246797

SCHEMBL13246797

CCCCCCCCc1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.61
THRB P10828 10/20 0.61
RARB P10826 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 1/20 0.61
RARA P10276 1/20 0.61
MAPT P10636 1/20 0.61
MTOR P42345 1/20 0.61
PLA2G1B P04054 3/20 0.56
ATG4B Q9Y4P1 3/20 0.56

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
SCHEMBL13246796 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL13246795 1.00 THRA (0.61) THRATHRBRARBMEN1KMT2A
SCHEMBL11664614 0.98 RARB (0.60) THRATHRBRARBMEN1KMT2A
SCHEMBL10001142 0.93 RARB (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL10712859 0.88 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL10713905 0.88 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL195074 0.88 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL151548 0.88 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6692949 0.88 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6702544 0.88 THRA (0.59) THRATHRBRARBMEN1KMT2A

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 THRA 4272/4885THRB 4542/4885RARB 4537/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 THRA 4272/4885THRB 4542/4885RARB 4537/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 THRA 4272/4885THRB 4542/4885RARB 4537/4885

“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.