SCHEMBL21392215

SCHEMBL21392215

Cn1cc(CCC(=O)O)c2cccc(F)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
S1PR1 P21453 1/20 0.41
CMA1 P23946 2/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CTSG P08311 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PCSK9 Q8NBP7 1/20 0.40
PARP1 P09874 1/20 0.40
PTGS2 P35354 1/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NQO2 P16083 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
EGFR P00533 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL18509666 0.84 PTGS2 (0.57) GSK3BCMA1CTSGMEN1KMT2A
SCHEMBL18509507 0.84 TRPM5 (0.51) GSK3BCMA1CTSGMEN1KMT2A
SCHEMBL19872659 0.83 PARP1 (0.44) GSK3BCMA1CTSGMEN1KMT2A
SCHEMBL18509550 0.83 CDK2 (0.51) GSK3BS1PR1CMA1CTSGMEN1
SCHEMBL18509904 0.81 CMA1 (0.41) GSK3BCMA1CTSGMEN1KMT2A
SCHEMBL20935018 0.81 MCL1 (0.51) GSK3BS1PR1CMA1FFAR1FFAR4
SCHEMBL19872629 0.81 TRPM5 (0.48) GSK3BMEN1KMT2APTGS2TP53
SCHEMBL18508882 0.80 ICMT (0.45) MEN1KMT2APCSK9PTGS2LMNA
SCHEMBL20935025 0.80 PTGS2 (0.46) GSK3BCMA1FFAR1CTSGMEN1
SCHEMBL20935267 0.80 GSK3B (0.41) GSK3BCMA1CTSGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US 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-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 GSK3B 3763/4885S1PR1 4830/4885CMA1 1371/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 GSK3B 3763/4885S1PR1 4830/4885CMA1 1371/4885

“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.