SCHEMBL20120170

SCHEMBL20120170

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

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 1/20 0.54
GPR17 Q13304 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.46
FBP1 P09467 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
MAP2 P11137 1/20 0.44
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL20120113 0.85 KDM4E (0.73) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL19872722 0.84 EGFR (0.56) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL29059553 0.83 GPR17 (0.49) EGFRKDM4EGPR17ALDH1A1FBP1
SCHEMBL18509938 0.83 EGFR (0.54) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL20119993 0.83 EGFR (0.54) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL18509719 0.83 EGFR (0.54) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL9188167 0.83 GPR17 (0.67) KDM4EGPR17ALDH1A1FBP1MAP2
SCHEMBL20935269 0.82 EGFR (0.51) EGFRMAPTMEN1KMT2AKDM4E
SCHEMBL3383227 0.81 MAPT (0.55) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL18509733 0.81 EGFR (0.55) EGFRMAPTMEN1KMT2AKDM4E

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-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 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
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-04-25 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 (4 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 3494/4885MAPT 3914/4885MEN1 4390/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 EGFR 3494/4885MAPT 3914/4885MEN1 4390/4885
US-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR EGFR 2865/4885MAPT 4297/4885MEN1 4685/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR EGFR 2865/4885MAPT 4297/4885MEN1 4685/4885

“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.