SCHEMBL22043372

SCHEMBL22043372

CCC(C)(C)c1ccc(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MCL1 Q07820 1/20 0.35
NR3C1 P04150 3/20 0.35
PGR P06401 3/20 0.35
NR3C2 P08235 3/20 0.35

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
SCHEMBL19574881 0.87 AR (0.36) ARMAOAMAOBNR3C1PGR
SCHEMBL13487588 0.82 AR (0.39) ARMAOAMAOB
SCHEMBL21338962 0.81 CYP2A6 (0.38) ARMCL1
SCHEMBL22043060 0.77 SLC22A12 (0.38) ARMCL1PGR
SCHEMBL22043403 0.77 AR (0.35) ARMCL1PGR
SCHEMBL29421468 0.76 AR (0.50) ARPGR
SCHEMBL325632 0.76 AR (0.50) ARPGR
SCHEMBL17552743 0.76 RIPK1 (0.41) NR3C2
SCHEMBL22043401 0.76 GLA (0.45) ARMAOAMAOB
SCHEMBL5520305 0.75 AR (0.38) ARMAOAMAOB

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-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 AR 2101/4885MAOA 262/4885MAOB 241/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 AR 2101/4885MAOA 262/4885MAOB 241/4885

“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.