SCHEMBL21049572

SCHEMBL21049572

CCCCCn1cc[n+](C)c1C(=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSP90AA1 P07900 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TLR8 Q9NR97 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
EEF2K O00418 2/20 0.37
EEF2 P13639 2/20 0.37
PLK4 O00444 1/20 0.37
JAK2 O60674 1/20 0.37
EGFR P00533 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL21049641 0.98 MEN1 (0.41) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL21049594 0.98 MEN1 (0.41) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL21049536 0.98 MEN1 (0.41) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL21049626 0.98 MEN1 (0.41) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL21049629 0.98 MEN1 (0.41) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL22189073 0.98 MEN1 (0.41) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL1095619 0.95 FDPS (0.35) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL21049622 0.89 FDPS (0.32) SMN1; SMN2HTTFDPS
SCHEMBL1917058 0.81 KMT2A (0.35) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8
SCHEMBL22188965 0.81 CA1 (0.52) MEN1KMT2AHSP90AA1SMN1; SMN2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 CN disclosed
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 MEN1 374/4885KMT2A 3515/4885HSP90AA1 4367/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 MEN1 3059/4885KMT2A 1100/4885HSP90AA1 2410/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 MEN1 3059/4885KMT2A 1100/4885HSP90AA1 2410/4885

“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.