SCHEMBL22140448

SCHEMBL22140448

CCC(C)(C)c1ccc(OC)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.43
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CRHR1 P34998 2/20 0.39
▸ PGR P06401 1/20 0.39
▸ AR P10275 1/20 0.39
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36

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
SCHEMBL21139206 0.87 EPHX2 (0.41) EPHX2CYP11B1CYP11B2CRHR1PGR
SCHEMBL4628852 0.83 EPHX2 (0.46) EPHX2CYP11B1CYP11B2PGRAR
SCHEMBL8225493 0.82 CA1 (0.48) EPHX2CYP11B1CYP11B2PGRAR
SCHEMBL19987447 0.81 KIF11 (0.48) CYP11B1CYP11B2
SCHEMBL18970383 0.81 KIF11 (0.38) —
SCHEMBL22624202 0.79 ALDH1A1 (0.50) —
SCHEMBL22140260 0.79 CRHR1 (0.38) CRHR1
SCHEMBL805037 0.79 CA12 (0.50) —
SCHEMBL12904906 0.79 CASP1 (0.39) —
SCHEMBL13437621 0.77 HSD17B10 (0.40) —

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-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 — — US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 — — 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP EPHX2 1344/4885CYP11B1 305/4885CYP11B2 515/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP EPHX2 1344/4885CYP11B1 305/4885CYP11B2 515/4885

“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.

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