SCHEMBL20120113

SCHEMBL20120113

Cc1[nH]c2c(C)cccc2c1CCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.73
MAPT P10636 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
GAA P10253 1/20 0.73
EGFR P00533 2/20 0.72
HPGD P15428 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
AHR P35869 1/20 0.49
RPA1 P27694 1/20 0.48
MCL1 Q07820 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
FBP1 P09467 1/20 0.47
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL19872722 0.87 EGFR (0.56) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL18509719 0.85 EGFR (0.54) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL20120170 0.85 EGFR (0.54) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL18509938 0.85 EGFR (0.54) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL20119993 0.85 EGFR (0.54) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL6291031 0.84 MAPT (1.00) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL18509733 0.83 EGFR (0.55) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL18509911 0.83 EGFR (0.52) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL18509949 0.83 ALDH1A1 (0.66) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL20935269 0.82 EGFR (0.51) KDM4EMAPTMEN1KMT2AGAA

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 4 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
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO 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 2974/4885MAPT 3914/4885MEN1 4390/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 KDM4E 2974/4885MAPT 3914/4885MEN1 4390/4885

“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.