SCHEMBL20336563

SCHEMBL20336563

C[CH][C@H](c1ccc(F)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.35
ACHE P22303 1/20 0.35
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
CYP17A1 P05093 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 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
SCHEMBL20187377 0.73 IDO1 (0.41) AOC3IDO1TDO2ACHEDAO
SCHEMBL10157213 0.70 IDO1 (0.42) AOC3IDO1TDO2TRPA1ACHE
SCHEMBL10157190 0.70 IDO1 (0.42) AOC3IDO1TDO2TRPA1ACHE
SCHEMBL10159881 0.70 IDO1 (0.42) AOC3IDO1TDO2TRPA1ACHE
SCHEMBL12201672 0.70 IDO1 (0.42) AOC3IDO1TDO2TRPA1ACHE
SCHEMBL25245356 0.70 ALOX5 (0.30)
SCHEMBL20336534 0.70 ALOX5 (0.30)
SCHEMBL12027408 0.69 IDO1 (0.46) AOC3IDO1TDO2MEN1KMT2A
SCHEMBL7893366 0.69 ESR1 (0.52) AOC3IDO1TDO2TRPA1ACHE
SCHEMBL84956 0.69 IDO1 (0.46) AOC3IDO1TDO2MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565410-B1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC (US) 2023-02-15 EP disclosed
EP-3565410-A1 PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2019-11-13 EP disclosed
US-10246417-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-04-02 US disclosed
WO-2018129238-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-12 WO disclosed
WO-2018129237-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-12 WO disclosed
US-20180186743-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-05 US disclosed
US-20180186742-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-05 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 (3 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-20180186743-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 AOC3 1260/4885IDO1 582/4885TDO2 720/4885
US-10246417-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 AOC3 1260/4885IDO1 582/4885TDO2 720/4885
US-20180186742-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 AOC3 1260/4885IDO1 582/4885TDO2 720/4885

“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.