SCHEMBL22407014

SCHEMBL22407014

COC(=O)C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PNLIP P16233 3/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MMP1 P03956 2/20 0.40
BRAF P15056 1/20 0.39
HDAC1 Q13547 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL22406820 0.89 ABCG2 (0.50) AKR1C3AKR1C2PNLIPHPGDMAPT
SCHEMBL28386029 0.88 AKR1C3 (0.45) AKR1C3AKR1C2HPGDMAPTKDR
SCHEMBL22406886 0.86 AKR1C3 (0.41) AKR1C3AKR1C2PNLIPHPGDMAPT
SCHEMBL22406946 0.85 FLT1 (0.48) AKR1C3AKR1C2PNLIPMAPTFLT1
SCHEMBL29380080 0.85 FLT1 (0.48) AKR1C3AKR1C2PNLIPMAPTFLT1
SCHEMBL22406874 0.84 BRAF (0.43) AKR1C3AKR1C2PNLIPHPGDMAPT
SCHEMBL22439738 0.84 XDH (0.41) AKR1C3AKR1C2PNLIPFLT1FLT4
SCHEMBL29280622 0.83 NPC1 (0.49) AKR1C3AKR1C2HPGDMAPTRAB9A
SCHEMBL22406928 0.83 CYP11B1 (0.48) AKR1C3AKR1C2PNLIPRAB9AKMT2A
SCHEMBL22406959 0.82 BRAF (0.43) PNLIPHPGDMAPTFLT1FLT4

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 6 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
EP-3712135-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE Kureha Corporation (JP) 2020-09-23 EP 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 AKR1C3 209/4885AKR1C2 183/4885PNLIP 4672/4885
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 AKR1C3 209/4885AKR1C2 183/4885PNLIP 4672/4885

“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.