SCHEMBL22188965

SCHEMBL22188965

CCCCCCCCCCCCn1cc[n+](CCCCCCCCCCCC)c1C(=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
EEF2K O00418 2/20 0.43
EEF2 P13639 2/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
EGFR P00533 1/20 0.43
TYK2 P29597 1/20 0.43
FLT3 P36888 1/20 0.43
BLM P54132 1/20 0.43
ITK Q08881 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AA1 P07900 2/20 0.36

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
SCHEMBL22188947 1.00 CA1 (0.52) CA1CA2MEN1KMT2AEEF2K
SCHEMBL22188990 1.00 CA1 (0.52) CA1CA2MEN1KMT2AEEF2K
SCHEMBL21049590 0.85 CA1 (0.48) CA1CA2MEN1KMT2AEEF2K
SCHEMBL21049628 0.85 CA1 (0.48) CA1CA2MEN1KMT2AEEF2K
SCHEMBL21049640 0.85 CA1 (0.48) CA1CA2MEN1KMT2AEEF2K
SCHEMBL21049627 0.85 CA1 (0.48) CA1CA2MEN1KMT2AEEF2K
SCHEMBL21049538 0.85 CA1 (0.48) CA1CA2MEN1KMT2AEEF2K
SCHEMBL22189070 0.85 CA1 (0.48) CA1CA2MEN1KMT2AEEF2K
Bicarbonate SCHEMBL29961522 0.84 CA1 (0.69) CA1CA2MEN1KMT2AEEF2K
SCHEMBL21049574 0.84 CA1 (0.46) CA1CA2MEN1KMT2AEEF2K

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 CA1 87/4885CA2 349/4885MEN1 176/4885
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 CA1 87/4885CA2 349/4885MEN1 176/4885

“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.