SCHEMBL22406876

SCHEMBL22406876

COC(=O)C(C)(O)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
HTT P42858 1/20 0.41
MAPK14 Q16539 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK10 P53779 2/20 0.38
RAF1 P04049 1/20 0.38
TLR8 Q9NR97 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
P2RX3 P56373 1/20 0.37
S1PR3 Q99500 1/20 0.37
ESRRA P11474 1/20 0.36

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
SCHEMBL22406892 0.88 LMNA (0.41) ARMAPK14ESRRA
SCHEMBL22439744 0.87 AR (0.50) ARHTTMAPK14HTR2ASLC6A4
SCHEMBL22407020 0.86 MAPK14 (0.40) ARHTTMAPK14HTR2ATLR8
SCHEMBL22407054 0.83 MAPK14 (0.40) MAPK14HTR2ACCNCCDK8
SCHEMBL21340542 0.82 AR (0.56) ARHTTMAPK14HTR2ASLC6A4
SCHEMBL29741722 0.82 AR (0.56) ARHTTMAPK14HTR2ASLC6A4
SCHEMBL29446012 0.77 AR (0.51) ARHTTMAPK14HTR2ASLC6A4
SCHEMBL21340544 0.77 AR (0.51) ARMAPK14HTR2ASLC6A4KCNH2
SCHEMBL28665319 0.77 AR (0.51) ARHTTHTR2ASLC6A4KCNH2
SCHEMBL22407046 0.75 AR (0.49) ARHTTHTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 EP disclosed
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 CN disclosed
US-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material KUREHA CORPORATION (JP) 2021-03-16 US disclosed
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL KUREHA CORPORATION (JP) 2020-09-17 US disclosed
CN-111032631-A Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2020-04-17 CN 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-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material NOS2, NOS1, CYP51A1 AR 701/4885HTT 638/4885MAPK14 429/4885
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL NOS2, NOS1, CYP51A1 AR 701/4885HTT 638/4885MAPK14 429/4885

“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.