SCHEMBL22189012

SCHEMBL22189012

CCCCCCCCn1c(C(=O)[O-])[n+](CCCCCCCC)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TLR8 Q9NR97 2/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 3/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.40
ICMT O60725 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL22189077 0.92 PTPN1 (0.44) NPSR1ALDH1A1TLR8KDM4EHTT
SCHEMBL21049548 0.87 PTPN1 (0.41) NPSR1ALDH1A1KDM4EMAPK1HTT
SCHEMBL22189081 0.87 PTPN1 (0.41) NPSR1ALDH1A1KDM4EMAPK1HTT
SCHEMBL21049569 0.87 PTPN1 (0.41) NPSR1ALDH1A1KDM4EMAPK1HTT
SCHEMBL21049581 0.87 PTPN1 (0.41) NPSR1ALDH1A1KDM4EMAPK1HTT
SCHEMBL21049553 0.85 APAF1 (0.47) NPSR1SAE1UBA2ALDH1A1CYP1A2
SCHEMBL21049630 0.85 APAF1 (0.47) NPSR1SAE1UBA2ALDH1A1CYP1A2
SCHEMBL21049573 0.83 APAF1 (0.45) NPSR1SAE1UBA2ALDH1A1CYP1A2
SCHEMBL20002044 0.82 PTPN1 (0.46) NPSR1ALDH1A1CYP1A2GLACYP2D6
SCHEMBL10028744 0.79 PTPN1 (0.48) NPSR1SAE1UBA2ALDH1A1TLR8

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
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-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
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
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

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-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 NPSR1 1474/4885SAE1 1272/4885UBA2 1013/4885
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 NPSR1 1474/4885SAE1 1272/4885UBA2 1013/4885

“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.