SCHEMBL22043371

SCHEMBL22043371

CCc1cccc(Cl)c1C(C)(C)CC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
PNMT P11086 2/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL20146878 0.86 GABRA1 (0.52) GABRA1GABRB2LMNAPOLB
SCHEMBL19222035 0.86 LMNA (0.39) PNMTIDO1LMNAPOLBTAAR1
SCHEMBL21718902 0.84 GABRA1 (0.46) GABRA1GABRB2PNMTIDO1LMNA
SCHEMBL22043048 0.78 RIPK1 (0.46) GABRA1GABRB2LMNATAAR1
SCHEMBL14115785 0.78 GABRA1 (0.45) GABRA1GABRB2PNMTLMNAKCNJ5
SCHEMBL13755139 0.78 LMNA (0.38) GABRA1GABRB2LMNAPOLBALDH1A1
SCHEMBL25724813 0.78 GABRA1 (0.41) GABRA1GABRB2PNMTLMNAPOLB
SCHEMBL22043379 0.77 GABRA1 (0.48) GABRA1GABRB2IDO1LMNATAAR1
SCHEMBL18494712 0.77 TAAR1 (0.40) LMNAPOLBTAAR1
SCHEMBL18924893 0.74 CYP2C19 (0.44) LMNAALDH1A1

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 GABRA1 1949/4885GABRB2 2568/4885PNMT 819/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GABRA1 1949/4885GABRB2 2568/4885PNMT 819/4885

“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.