SCHEMBL21718976

SCHEMBL21718976

CC(C)(C)c1ccc(F)cc1CF

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RIPK1 Q13546 3/20 0.35
IDO1 P14902 3/20 0.34
P2RX7 Q99572 1/20 0.34
NR3C2 P08235 3/20 0.33
HTR2A P28223 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
NR3C1 P04150 4/20 0.31
RBP4 P02753 1/20 0.31
AGXT P21549 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL13437624 0.83 RIPK1 (0.41) PTGS1PTGS2RIPK1IDO1P2RX7
SCHEMBL13547861 0.82 PTGS1 (0.40) PTGS1PTGS2RIPK1IDO1NR3C2
SCHEMBL12459222 0.82 MPO (0.41) PTGS1PTGS2RIPK1IDO1NR3C2
SCHEMBL18176645 0.80 F2RL1 (0.38) PTGS1PTGS2RIPK1IDO1NR3C2
SCHEMBL26540975 0.79 PARK7 (0.36) PTGS1PTGS2RIPK1IDO1NR3C2
SCHEMBL13547931 0.77 MAPT (0.36) PTGS1PTGS2RIPK1IDO1P2RX7
SCHEMBL19732319 0.77 HTR2A (0.39) PTGS1PTGS2P2RX7NR3C2HTR2A
SCHEMBL14850384 0.76 ALOX5 (0.41) PTGS2KDM4E
SCHEMBL2625769 0.75 IDO1 (0.42) PTGS1PTGS2RIPK1IDO1NR3C2
SCHEMBL12740308 0.75 IDO1 (0.42) PTGS1PTGS2RIPK1IDO1P2RX7

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK PTGS1 499/4885PTGS2 1052/4885RIPK1 1569/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK PTGS1 499/4885PTGS2 1052/4885RIPK1 1569/4885

“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.