SCHEMBL21392065

SCHEMBL21392065

NCCC(Cc1c[nH]c2cc(F)ccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.58
GPR84 Q9NQS5 1/20 0.52
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
HTR2C P28335 1/20 0.48
PTPRA P18433 1/20 0.46
TSHR P16473 2/20 0.46
MPO P05164 5/20 0.45
TDO2 P48775 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL21392223 0.86 GPR84 (0.51) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL21392222 0.83 HTR2A (0.60) HTR2AITGB2ICAM1ITGALHTR2C
SCHEMBL30381733 0.83 KMT2A (0.66) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL17771950 0.83 GPR84 (0.56) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL18029199 0.83 KMT2A (0.66) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL248870 0.83 KMT2A (0.66) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL120340 0.83 KMT2A (0.66) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL2330930 0.83 KMT2A (0.66) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL7096864 0.83 KMT2A (0.66) HTR2AGPR84ITGB2ICAM1ITGAL
SCHEMBL24328925 0.81 SMN1; SMN2 (0.65) HTR2AGPR84ITGB2ICAM1ITGAL

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 2 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-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 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 (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 HTR2A 4016/4885GPR84 4312/4885ITGB2 4643/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 HTR2A 4016/4885GPR84 4312/4885ITGB2 4643/4885

“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.