SCHEMBL22043309

SCHEMBL22043309

CCOc1cccc(C)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 8/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ GRK6 P43250 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37

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
SCHEMBL27418192 0.85 HTR1B (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL16957236 0.83 L3MBTL1 (0.45) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL21718430 0.81 PTPN1 (0.46) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL14848723 0.81 MCHR1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL18475446 0.81 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL21719132 0.80 HTR1B (0.40) ALDH1A1L3MBTL1MAPTKDM4ETDP1
SCHEMBL21718888 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL25235901 0.79 MAPT (0.42) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL21719098 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL21718865 0.79 L3MBTL1 (0.49) ALDH1A1L3MBTL1MEN1KMT2AMAPT

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-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-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
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 (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 ALDH1A1 525/4885L3MBTL1 3104/4885MEN1 1439/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP ALDH1A1 814/4885L3MBTL1 2071/4885MEN1 317/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 ALDH1A1 525/4885L3MBTL1 3104/4885MEN1 1439/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP ALDH1A1 814/4885L3MBTL1 2071/4885MEN1 317/4885

“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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