SCHEMBL21718833

SCHEMBL21718833

CCc1cc(OC)cnc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MTNR1B P49286 5/20 0.33
MTNR1A P48039 5/20 0.33
HPGD P15428 2/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
ELANE P08246 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL21719023 0.86 NQO1 (0.35) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL17877840 0.77 CA1 (0.41) CA1CA2ALDH1A1HPGDELANE
SCHEMBL22949457 0.76 CA1 (0.53) CA1CA2ALDH1A1HPGDMEN1
SCHEMBL21718943 0.76 CA1 (0.39) CA1CA2ALDH1A1CYP1A1CYP1B1
SCHEMBL21718413 0.76 NOS3 (0.37) KMT2A
SCHEMBL13624095 0.76 CA1 (0.39) CA1CA2ALDH1A1HPGDMEN1
SCHEMBL21719014 0.74 HPGD (0.33) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL21718410 0.74 AGBL2 (0.35)
SCHEMBL21718904 0.74 CA1 (0.38) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL21718828 0.74 HPGD (0.34) ALDH1A1HPGDKMT2AMAPT

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 4 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-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
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 (4 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 CA1 2325/4885CA2 986/4885ALDH1A1 525/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CA1 4296/4885CA2 3320/4885ALDH1A1 894/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CA1 4296/4885CA2 3320/4885ALDH1A1 894/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 CA1 2325/4885CA2 986/4885ALDH1A1 525/4885

“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.