SCHEMBL21331652

SCHEMBL21331652

C[CH][C@H](C)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
HSD11B1 P28845 5/20 0.41
ACP3 P15309 1/20 0.41
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 3/20 0.38
TDO2 P48775 1/20 0.38
MPO P05164 1/20 0.37
CNR2 P34972 1/20 0.37
MC4R P32245 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NFKB1 P19838 1/20 0.34

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
SCHEMBL14567995 0.82 P2RX7 (0.43) P2RX7HSD11B1ACP3TDP1L3MBTL1
SCHEMBL8427460 0.82 ACP3 (0.44) P2RX7HSD11B1ACP3ALDH1A1TDP1
SCHEMBL29808963 0.79 P2RX7 (0.47) P2RX7HSD11B1ACP3ALDH1A1POLB
SCHEMBL30303206 0.79 P2RX7 (0.47) P2RX7HSD11B1ACP3ALDH1A1POLB
SCHEMBL1258401 0.79 P2RX7 (0.47) P2RX7HSD11B1ACP3ALDH1A1POLB
SCHEMBL334979 0.79 P2RX7 (0.47) P2RX7HSD11B1ACP3ALDH1A1POLB
SCHEMBL1727762 0.79 P2RX7 (0.47) P2RX7HSD11B1ACP3ALDH1A1POLB
SCHEMBL84477 0.79 P2RX7 (0.50) P2RX7HSD11B1ACP3ALDH1A1POLB
Hydrochloric Acid SCHEMBL6946309 0.78 P2RX7 (0.46) P2RX7HSD11B1ACP3ALDH1A1POLB
Iodide SCHEMBL28932199 0.78 P2RX7 (0.46) P2RX7HSD11B1ACP3ALDH1A1POLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230397607-A1 COMPOSITIONS COMPRISING MEFENTRIFLUCONAZOLE BASF Agro B.V. (NL) 2023-12-14 US claimed
WO-2021209360-A1 FUNGICIDAL MIXTURES COMPRISING SUBSTITUTED 3-PHENYL-5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLES BASF SE (DE) 2021-10-21 WO claimed
US-20240172746-A1 NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2024-05-30 US disclosed
US-20240058782-A1 New Microcapsules Containing Active Substances BASF SE (DE) 2024-02-22 US disclosed
EP-4304354-A1 NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2024-01-17 EP disclosed
EP-4297892-A1 NEW MICROCAPSULES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2024-01-03 EP disclosed
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2023-02-16 US disclosed
WO-2022179911-A1 NEW MICROCAPSULES CONTAINING ACTIVE SUBSTANCES BASF SE (DE) 2022-09-01 WO disclosed
EP-4011208-A1 MICROPARTICLE COMPOSITIONS COMPRISING FLUOPYRAM BASF Corporation (US) 2022-06-15 EP disclosed
EP-3945089-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS V BASF SE (DE) 2022-02-02 EP disclosed
EP-3939961-A1 STROBILURIN TYPE COMPOUNDS AND THEIR USE FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2022-01-19 EP disclosed
EP-3903583-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS III BASF SE (DE) 2021-11-03 EP disclosed
EP-3903584-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS IV BASF SE (DE) 2021-11-03 EP disclosed
EP-3903582-A1 USE OF STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI CONTAINING AN AMINO ACID SUBSTITUTION F129L IN THE MITOCHONDRIAL CYTOCHROME B PROTEIN CONFERRING RESISTANCE TO QO INHIBITORS II BASF SE (DE) 2021-11-03 EP disclosed
US-11155520-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC 2021-10-26 US disclosed
WO-2021209360-A1 FUNGICIDAL MIXTURES COMPRISING SUBSTITUTED 3-PHENYL-5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLES BASF SE (DE) 2021-10-21 WO disclosed
EP-3761790-A1 PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2021-01-13 EP disclosed
US-20200399222-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-12-24 US disclosed
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 US disclosed
WO-2019173665-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 WO 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 (7 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-20240058782-A1 New Microcapsules Containing Active Substances PLA2G2C, PHOSPHO1, PSPH P2RX7 3924/4885HSD11B1 4104/4885ACP3 199/4885
US-20240172746-A1 NEW MICROPARTICLES CONTAINING ACTIVE SUBSTANCES SGMS1, SGMS2, LIPA P2RX7 1468/4885HSD11B1 56/4885ACP3 396/4885
US-20200399222-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 P2RX7 268/4885HSD11B1 550/4885ACP3 518/4885
US-20230397607-A1 COMPOSITIONS COMPRISING MEFENTRIFLUCONAZOLE CYP51A1, CYP3A43, CYP3A7 P2RX7 141/4885HSD11B1 1061/4885ACP3 1693/4885
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 P2RX7 268/4885HSD11B1 550/4885ACP3 518/4885
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 P2RX7 268/4885HSD11B1 550/4885ACP3 518/4885
US-11155520-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 P2RX7 268/4885HSD11B1 550/4885ACP3 518/4885

“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.