SCHEMBL20119873

SCHEMBL20119873

Cc1c(CCC(=O)O)c2ccc(-c3ccncc3)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
FFAR4 Q5NUL3 4/20 0.43
HDAC8 Q9BY41 2/20 0.42
GPR17 Q13304 2/20 0.42
EGFR P00533 1/20 0.41
HDAC3 O15379 1/20 0.41
PTK2 Q05397 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
METAP2 P50579 2/20 0.41
CAPN1 P07384 2/20 0.40
GSK3B P49841 3/20 0.39
DYRK3 O43781 2/20 0.39
ROCK2 O75116 2/20 0.39
RPS6KA5 O75582 2/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
CDK1 P06493 2/20 0.39

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
SCHEMBL18509752 0.90 TACR1 (0.46) RXRARXRBFFAR4HDAC8GPR17
SCHEMBL18509737 0.89 RXRA (0.54) RXRARXRBFFAR4GPR17EGFR
SCHEMBL19872791 0.83 RXRA (0.43) RXRARXRBHDAC8METAP2CAPN1
SCHEMBL18509483 0.80 EGFR (0.49) EGFRPLA2G4A
SCHEMBL18029314 0.80 HDAC8 (0.42) RXRARXRBHDAC8METAP2CAPN1
SCHEMBL19872728 0.79 KDM4E (0.50) EGFRPLA2G4A
SCHEMBL18509702 0.79 PLA2G4A (0.51) RXRARXRBGPR17EGFRNR4A2
SCHEMBL20120068 0.78 EGLN1 (0.52) GPR17EGFRPLA2G4A
SCHEMBL19872669 0.78 AKR1C3 (0.53) FFAR4GPR17EGFRPLA2G4A
SCHEMBL19872619 0.78 MCL1 (0.55) GPR17EGFR

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 RXRA 3925/4885RXRB 3960/4885FFAR4 4242/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 RXRA 3925/4885RXRB 3960/4885FFAR4 4242/4885

“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.