SCHEMBL19872695

SCHEMBL19872695

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ APAF1 O14727 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NQO2 P16083 2/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ PTPRA P18433 1/20 0.40
▸ CYP2C19 P33261 1/20 0.38
▸ SCN9A Q15858 1/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL18509505 0.87 PTPRA (0.55) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL18000298 0.87 PTPRA (0.55) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL18000149 0.87 PTPRA (0.55) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL21392178 0.84 KDM4E (0.45) KDM4EPOLBAPAF1MAPTRECQL
SCHEMBL18509502 0.80 NQO2 (0.51) KDM4EPOLBMAPTRECQLL3MBTL1
SCHEMBL19872755 0.76 KDM4E (0.46) KDM4EPOLBAPAF1MAPTRECQL
SCHEMBL25001166 0.75 MTNR1A (0.76) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL30580919 0.75 MTNR1A (0.76) KDM4EMAPTNQO2MTNR1AMTNR1B
SCHEMBL14032218 0.74 PTPRA (0.60) KDM4EPOLBAPAF1MAPTRECQL
SCHEMBL18000202 0.73 PTPRA (0.59) KDM4EPOLBMAPTRECQLL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 — — 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 (1 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-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 KDM4E 3127/4885POLB 2407/4885APAF1 1399/4885

“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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