SCHEMBL21719863

SCHEMBL21719863

Cn1cc(C(C)(C)C)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HTR1D P28221 1/20 0.32
POLB P06746 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
SCHEMBL6417048 0.79 GABRA2 (0.34) GABRB2
SCHEMBL15504790 0.75 GABRA1 (0.35) GABRA1GABRB2HTR1DPOLB
SCHEMBL21718576 0.73 POLB (0.36) GABRA1GABRB2HTR1DPOLB
SCHEMBL21718585 0.71 GABRA1 (0.32) GABRA1GABRB2HTR1DPOLB
SCHEMBL21719695 0.71 GABRA1 (0.32) GABRA1GABRB2HTR1DPOLB
SCHEMBL25110325 0.71 GABRA2 (0.33) GABRB2
SCHEMBL16860640 0.69
SCHEMBL12157418 0.68 BRD4 (0.48) POLB
SCHEMBL21719676 0.68 ALDH1A1 (0.31) GABRA1GABRB2HTR1D
SCHEMBL26432820 0.68 HTR1D (0.30) GABRA1GABRB2HTR1D

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 GABRA1 1656/4885GABRB2 2694/4885HTR1D 148/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GABRA1 1656/4885GABRB2 2694/4885HTR1D 148/4885

“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.