SCHEMBL21049566

SCHEMBL21049566

CCCCCCN1CC[N+](C)=C1C(=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.37
GBA1 P04062 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CCR5 P51681 5/20 0.34
SOAT1 P35610 1/20 0.33
KCNH2 Q12809 1/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
BCHE P06276 1/20 0.32
ALOX5 P09917 2/20 0.32

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
SCHEMBL21049582 1.00 EEF2K (0.37) EEF2KGBA1ALDH1A1CCR5SOAT1
SCHEMBL21049651 1.00 EEF2K (0.37) EEF2KGBA1ALDH1A1CCR5SOAT1
SCHEMBL22188985 1.00 EEF2K (0.37) EEF2KGBA1ALDH1A1CCR5SOAT1
SCHEMBL21049532 1.00 EEF2K (0.37) EEF2KGBA1ALDH1A1CCR5SOAT1
SCHEMBL21049643 0.94 MEN1 (0.33) EEF2K
SCHEMBL21049559 0.84 INMT (0.33)
SCHEMBL22188978 0.82 EEF2K (0.41) EEF2KGBA1ALDH1A1CCR5SOAT1
SCHEMBL21049636 0.78 CYP2D6 (0.34)
SCHEMBL21049555 0.77 HSD11B1 (0.32)
SCHEMBL21049638 0.77 KDM4E (0.33) ALDH1A1

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 7 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
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 (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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR EEF2K 2879/4885GBA1 1860/4885ALDH1A1 1542/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 EEF2K 3836/4885GBA1 4065/4885ALDH1A1 1488/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 EEF2K 3836/4885GBA1 4065/4885ALDH1A1 1488/4885

“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.