SCHEMBL20051874

SCHEMBL20051874

CCCOC(=O)O[C@H](C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.48
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSK P43235 1/20 0.32
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20051875 0.89 ALDH1A1 (0.45) GRM1HCAR2ALDH1A1LMNATSHR
SCHEMBL19500206 0.84 GRM1 (0.35) GRM1ALDH1A1TSHR
SCHEMBL19500212 0.83 ALDH1A1 (0.50) GRM1ALDH1A1LMNAHSD17B10
SCHEMBL12306241 0.83 ALDH1A1 (0.50) GRM1ALDH1A1LMNAHSD17B10
SCHEMBL19500211 0.81 GRM1 (0.34) GRM1
SCHEMBL16017809 0.79 GRM1 (0.33) GRM1
SCHEMBL4736464 0.79 HCAR2 (0.36) GRM1HCAR2ALDH1A1LMNAESR1
SCHEMBL6897096 0.79 CTSK (0.38) GRM1HCAR2ALDH1A1LMNAESR1
SCHEMBL577735 0.79 LMNA (0.42) GRM1HCAR2ALDH1A1LMNAESR1
SCHEMBL15483680 0.78 FAAH (0.48)

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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 GRM1 4417/4885HCAR2 3392/4885ALDH1A1 2012/4885

“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.