SCHEMBL21392178

SCHEMBL21392178

C=Cc1ccc2[nH]cc(CC(C)C(=O)O)c2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NQO2 P16083 2/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ PTPRA P18433 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BLM P54132 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ECE1 P42892 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL18000165 0.87 PTPRA (0.52) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL18029227 0.87 PTPRA (0.52) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL18000400 0.87 PTPRA (0.52) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL19872695 0.84 KDM4E (0.49) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL18509526 0.81 NQO2 (0.46) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL21392083 0.76 MAPT (0.43) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL23226327 0.72 ALDH1A1 (0.39) POLBMAPTNQO2MTNR1AMTNR1B
SCHEMBL18000298 0.71 PTPRA (0.55) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL18000149 0.71 PTPRA (0.55) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL18509505 0.71 PTPRA (0.55) KDM4EMAPTNQO2MTNR1AMTNR1B

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 KDM4E 2974/4885APAF1 2181/4885POLB 4146/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 KDM4E 2974/4885APAF1 2181/4885POLB 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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