Sugi Predict

Sugi Predict / Compounds / SCHEMBL21708113

SCHEMBL21708113

SCHEMBL21708113

Cc1[c]cccc1OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ TLR8 Q9NR97 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ PDE4B Q07343 2/20 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
SCHEMBL676560 0.81 ALDH1A1 (0.40) HTR2CALDH1A1GAATLR8MEN1
SCHEMBL3207844 0.80 ALDH1A1 (0.42) HTR2CALDH1A1GAATLR8MEN1
SCHEMBL2778847 0.79 ALDH1A1 (0.45) HTR2CALDH1A1GAAMEN1KMT2A
SCHEMBL27567066 0.76 ALDH1A1 (0.36) HTR2CALDH1A1GAATLR8
SCHEMBL10515437 0.76 HTR2C (0.40) HTR2CALDH1A1GAATLR8MEN1
SCHEMBL4334443 0.75 ALDH1A1 (0.55) HTR2CALDH1A1GAATLR8MEN1
SCHEMBL27916430 0.75 DHODH (0.38) HTR2CALDH1A1NFKB1NFKB2RELA
SCHEMBL16960318 0.75 IRAK4 (0.39) HTR2CALDH1A1TLR8MEN1KMT2A
SCHEMBL17046261 0.74 TSHR (0.38) ALDH1A1GAASMN1; SMN2LMNAPOLB
SCHEMBL10841925 0.74 CYP1A2 (0.50) GAATLR8MEN1KMT2ALMNA

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 3 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
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 — — EP 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 HTR2C 1690/4885ALDH1A1 814/4885GAA 2035/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP HTR2C 1690/4885ALDH1A1 814/4885GAA 2035/4885

“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.