SCHEMBL21049549

SCHEMBL21049549

CC(=O)[n+]1cn(C)c2ccc(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CSNK2A1 P68400 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAO P14920 1/20 0.33
MAPT P10636 4/20 0.32
CYP2A6 P11509 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 2/20 0.31
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
NOTUM Q6P988 1/20 0.31
KMT2A Q03164 3/20 0.31
GAA P10253 2/20 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
SCHEMBL21049608 0.73 MAPT (0.39) KDM4EHSD17B10THRBPOLBDAO
SCHEMBL21049597 0.69 LMNA (0.37) KDM4ELMNAHSD17B10ALDH1A1THRB
SCHEMBL7284347 0.66 BRD4 (0.49) KDM4ELMNAHSD17B10ALDH1A1POLB
SCHEMBL21049541 0.65 LMNA (0.35) KDM4ELMNAHSD17B10ALDH1A1THRB
SCHEMBL14756161 0.62 BRD4 (0.49) KDM4ELMNAHSD17B10ALDH1A1POLB
SCHEMBL13774352 0.59 KDM4E (0.51) KDM4ELMNAHSD17B10ALDH1A1L3MBTL1
SCHEMBL30622587 0.59 KMT2A (0.56) KDM4ELMNAHSD17B10ALDH1A1CSNK2A1
SCHEMBL12167181 0.59 KMT2A (0.56) KDM4ELMNAHSD17B10ALDH1A1CSNK2A1
SCHEMBL13319143 0.58 MAPT (0.35) KDM4ELMNAHSD17B10ALDH1A1THRB
SCHEMBL24182122 0.58 HTT (0.66) KDM4ELMNAHSD17B10ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291506-B2 Method for producing amidate compound, and amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-05-06 US disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
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
CN-111094375-B Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学株式会社 2022-04-01 CN disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 US 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
EP-3858817-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2021-08-04 EP disclosed
EP-3689931-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT Koei Chemical Company, Limited (JP) 2020-08-05 EP disclosed
US-20200216600-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-07-09 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
CN-111094375-A Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学工业株式会社 2020-05-01 CN disclosed
WO-2020067431-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND 広栄化学工業株式会社 2020-04-02 WO 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 (6 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-12291506-B2 Method for producing amidate compound, and amidate compound NAAA, NIT2, PAM KDM4E 4058/4885LMNA 3604/4885HSD17B10 1917/4885
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 KDM4E 429/4885LMNA 3018/4885HSD17B10 2531/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 KDM4E 2519/4885LMNA 3140/4885HSD17B10 1277/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 KDM4E 2519/4885LMNA 3140/4885HSD17B10 1277/4885
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent IDH3A, RCOR1, MUS81 KDM4E 429/4885LMNA 3018/4885HSD17B10 2531/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM KDM4E 4058/4885LMNA 3604/4885HSD17B10 1917/4885

“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.