SCHEMBL21049595

SCHEMBL21049595

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAI1 P63096 1/20 0.30
CCR5 P51681 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EEF2K O00418 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
SCHEMBL21049596 0.98 GNAI3 (0.33) CES2CES1GNAI3GNAI1CCR5
SCHEMBL21049621 0.98 GNAI3 (0.33) CES2CES1GNAI3GNAI1CCR5
SCHEMBL21049599 0.89
SCHEMBL22188978 0.84 EEF2K (0.41) CES2CES1CCR5EEF2K
SCHEMBL22189129 0.80 EEF2K (0.35) MEN1KMT2AEEF2K
SCHEMBL22189101 0.77 CA2 (0.41) L3MBTL1MEN1KMT2ATDP1
SCHEMBL21049551 0.69
Trifluoroacetic Acid SCHEMBL7967266 0.68 CCR5 (0.43) CES2CES1CCR5MEN1KMT2A
SCHEMBL21049532 0.68 EEF2K (0.37) CES2CES1CCR5EEF2K
SCHEMBL4516642 0.67 EEF2K (0.38) EEF2K

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
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-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 US 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 (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-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 L3MBTL1 1977/4885CES2 1806/4885CES1 1753/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 L3MBTL1 1977/4885CES2 1806/4885CES1 1753/4885

“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.