SCHEMBL20120069

SCHEMBL20120069

C=Cc1ccc2c(CCC(=O)O)c(C)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
APEX1 P27695 1/20 0.49
GPR17 Q13304 8/20 0.46
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL18509857 0.90 APEX1 (0.55) EGFRAPEX1TBXAS1KDM4EALDH1A1
SCHEMBL18509428 0.82 EGFR (0.72) EGFRAPEX1GPR17TBXAS1KDM4E
SCHEMBL20935027 0.81 EGFR (0.56) EGFRAPEX1GPR17TBXAS1KDM4E
SCHEMBL23226279 0.80 GPR17 (0.71) EGFRAPEX1GPR17
SCHEMBL18029100 0.79 MAPT (0.39) KDM4EALDH1A1GAAMAPTCASP1
SCHEMBL18509728 0.77 GPR17 (0.72) EGFRAPEX1GPR17KDM4EALDH1A1
SCHEMBL20935034 0.77 EGFR (0.55) EGFRAPEX1GPR17TBXAS1KDM4E
SCHEMBL19872632 0.77 GPR17 (0.74) EGFRAPEX1GPR17KDM4EALDH1A1
SCHEMBL20935258 0.76 EGFR (0.54) EGFRAPEX1GPR17TBXAS1KDM4E
SCHEMBL30343681 0.76 ALDH1A1 (0.71) EGFRAPEX1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 US disclosed
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 US 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 EGFR 3494/4885APEX1 1022/4885GPR17 4789/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 EGFR 3494/4885APEX1 1022/4885GPR17 4789/4885

“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.