SCHEMBL21392083

SCHEMBL21392083

C=Cc1cc([N+](=O)[O-])c2c(CC(C)C(=O)O)c[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PTPRA P18433 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ NQO2 P16083 2/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ FBP1 P09467 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL18000323 0.87 PTPRA (0.52) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL18000327 0.87 PTPRA (0.52) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL18029232 0.87 PTPRA (0.52) MAPTKDM4EPOLBRECQLL3MBTL1
SCHEMBL19872755 0.84 KDM4E (0.46) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL20935014 0.83 PTPRA (0.37) MAPTPTPRACYP2C19NQO2MTNR1A
SCHEMBL19872705 0.83 KDM4E (0.45) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL19872691 0.83 KDM4E (0.45) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL21392178 0.76 KDM4E (0.45) MAPTKDM4EPOLBAPAF1RECQL
SCHEMBL18000103 0.71 PTPRA (0.55) MAPTKDM4EPTPRACYP2C19KMT2A
SCHEMBL18029335 0.71 PTPRA (0.55) MAPTKDM4EPTPRACYP2C19KMT2A

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 2 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
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 MAPT 3914/4885KDM4E 2974/4885POLB 4146/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 MAPT 3914/4885KDM4E 2974/4885POLB 4146/4885

“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.

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