SCHEMBL22406872

SCHEMBL22406872

COC(=O)C(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
EPHX2 P34913 3/20 0.41
FAAH O00519 1/20 0.41
RAF1 P04049 1/20 0.41
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
PPARA Q07869 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL22406829 0.87 CYP11B1 (0.44) PPARA
SCHEMBL22439731 0.85 AKR1C2 (0.48) SCN9AAKR1C2AKR1C1EPHX2FAAH
SCHEMBL22407007 0.85 PPARA (0.43) SCN9ALGALS8PPARA
SCHEMBL29380080 0.85 FLT1 (0.48) AKR1C2RAB9A
SCHEMBL22407053 0.85 MAPT (0.49) RAB9A
SCHEMBL22406946 0.85 FLT1 (0.48) AKR1C2RAB9A
SCHEMBL22406900 0.83 AKR1C2 (0.46) SCN9AAKR1C2AKR1C1EPHX2FAAH
SCHEMBL22407111 0.83 KMO (0.48) SCN9ARAB9A
SCHEMBL22406805 0.83 AKR1C3 (0.42) AKR1C2TDP1NPC1RAB9A
SCHEMBL22407018 0.82 AKR1C3 (0.40) AKR1C2RAB9A

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 SCN9A 254/4885AKR1C2 183/4885AKR1C1 201/4885
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 SCN9A 254/4885AKR1C2 183/4885AKR1C1 201/4885

“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.