SCHEMBL19872755

SCHEMBL19872755

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PTPRA P18433 1/20 0.40
▸ CYP2C19 P33261 2/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 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
SCHEMBL18000103 0.87 PTPRA (0.55) KDM4EMAPTPTPRACYP2C19GPR35
SCHEMBL18029335 0.87 PTPRA (0.55) KDM4EMAPTPTPRACYP2C19GPR35
SCHEMBL19872691 0.87 KDM4E (0.45) KDM4EL3MBTL1MAPTAPAF1POLB
SCHEMBL31008623 0.87 PTPRA (0.55) KDM4EMAPTPTPRACYP2C19GPR35
SCHEMBL19872705 0.87 KDM4E (0.45) KDM4EL3MBTL1MAPTAPAF1POLB
SCHEMBL18000105 0.87 PTPRA (0.55) KDM4EMAPTPTPRACYP2C19GPR35
SCHEMBL21392083 0.84 MAPT (0.43) KDM4EL3MBTL1MAPTAPAF1POLB
SCHEMBL18509503 0.81 GPR35 (0.38) KDM4EL3MBTL1MAPTPTPRACYP2C19
SCHEMBL18509788 0.76 GPR35 (0.41) KDM4EL3MBTL1MAPTGPR35GRIN2D
SCHEMBL19872695 0.76 KDM4E (0.49) KDM4EL3MBTL1MAPTAPAF1POLB

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 3127/4885L3MBTL1 2891/4885MAPT 4241/4885

“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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