SCHEMBL9728219

SCHEMBL9728219

CC(C)C(C)OC(=O)N(C(C)C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL16965826 0.90 TSHR (0.33) BCHETSHR
SCHEMBL16965704 0.84 BCHE (0.32) BCHE
SCHEMBL16965407 0.80 BCHE (0.31) BCHETSHR
SCHEMBL12988855 0.79 TSHR (0.46) BCHETSHR
SCHEMBL18924870 0.78
SCHEMBL6897112 0.77 CHRNB2 (0.39) TSHR
SCHEMBL8471165 0.77 CHRNB2 (0.39) TSHR
SCHEMBL16965725 0.76
SCHEMBL22445029 0.75 BCHE (0.31) BCHETSHR
SCHEMBL306131 0.75 BCHE (0.31) BCHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-5084541-A Self curing, crosslinking compounds to form environmentally resistant coatings AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed
US-4939213-A Triazine crosslinking agents and curable compositions containing the same AMERICAN CYANAMID COMPANY (US) 1990-07-03 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 (2 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT BCHE 230/4885TSHR 1626/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM BCHE 25/4885TSHR 1341/4885

“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.