SCHEMBL22407012

SCHEMBL22407012

C=C(C(=O)OC)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.50
▸ MMP1 P03956 2/20 0.48
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL191087 0.91 HPGD (0.48) HPGDKMT2AMEN1HTTSMN1; SMN2
SCHEMBL8897038 0.85 PARP10 (0.53) HPGDMMP1HTTSMN1; SMN2TSHR
SCHEMBL28385140 0.83 HRH3 (0.52) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL22407070 0.83 HPGD (0.53) HPGDMMP1KMT2AMEN1HTT
SCHEMBL22407099 0.82 BRAF (0.41) HPGDMMP1KMT2AHTTSMN1; SMN2
SCHEMBL5057415 0.82 ALDH1A1 (0.46) TSHRMAPTALDH1A1
SCHEMBL30414504 0.81 PARP10 (0.57) HPGDKMT2AHTTSMN1; SMN2TSHR
SCHEMBL4910445 0.80 CA1 (0.59) SMN1; SMN2RAB9AMAPTNPC1PARP10
SCHEMBL9325860 0.80 ALDH1A1 (0.48) HPGDKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL9864000 0.79 PARP10 (0.52) HPGDMMP1KMT2AMEN1RAB9A

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 HPGD 909/4885MMP1 599/4885KMT2A 858/4885
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 HPGD 909/4885MMP1 599/4885KMT2A 858/4885

“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.

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