SCHEMBL21049596

SCHEMBL21049596

CCCCCCCCC[N+]1=C(C(=O)[O-])N(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.33
GNAI1 P63096 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
CCR5 P51681 3/20 0.32
EEF2K O00418 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
RGS12 O14924 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NAAA Q02083 2/20 0.31
FAAH O00519 1/20 0.31
THRA P10827 3/20 0.31
THRB P10828 3/20 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
SCHEMBL21049621 1.00 GNAI3 (0.33) GNAI3GNAI1CES2CES1CCR5
SCHEMBL21049595 0.98 L3MBTL1 (0.31) GNAI3GNAI1CES2CES1CCR5
SCHEMBL21049599 0.87
SCHEMBL22188978 0.85 EEF2K (0.41) CES2CES1CCR5EEF2K
SCHEMBL22189129 0.79 EEF2K (0.35) EEF2KMEN1KMT2A
SCHEMBL22189101 0.76 CA2 (0.41) MEN1MAPK1KMT2A
SCHEMBL21049651 0.70 EEF2K (0.37) CES2CES1CCR5EEF2K
SCHEMBL22188985 0.70 EEF2K (0.37) CES2CES1CCR5EEF2K
SCHEMBL21049532 0.70 EEF2K (0.37) CES2CES1CCR5EEF2K
Trifluoroacetic Acid SCHEMBL7967266 0.70 CCR5 (0.43) CES2CES1CCR5EEF2KMEN1

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
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
US-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 US disclosed
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 EP 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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR GNAI3 2442/4885GNAI1 2902/4885CES2 166/4885

“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.