SCHEMBL6574965

SCHEMBL6574965

OC(Cn1cncn1)(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 1.00
KMT2A Q03164 3/20 0.62
CYP19A1 P11511 6/20 0.51
FDPS P14324 1/20 0.47
CYP3A4 P08684 2/20 0.46
LMNA P02545 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP51A1 Q16850 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL27336382 0.91 HSP90AA1 (0.83) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
Hydrochloric Acid SCHEMBL11139130 0.90 HSP90AA1 (0.81) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
SCHEMBL11265813 0.86 HSP90AA1 (0.74) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
SCHEMBL9719596 0.86 HSP90AA1 (0.76) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
SCHEMBL27336383 0.85 HSP90AA1 (0.74) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
SCHEMBL27534083 0.85 HSP90AA1 (0.74) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
SCHEMBL11286681 0.84 HSP90AA1 (0.72) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
Hydrochloric Acid SCHEMBL11139113 0.84 HSP90AA1 (0.72) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
SCHEMBL27280681 0.83 HSP90AA1 (0.71) HSP90AA1KMT2ACYP19A1FDPSCYP3A4
SCHEMBL10874854 0.83 HSP90AA1 (0.71) HSP90AA1KMT2ACYP19A1FDPSCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113678697-A Method for relieving self-toxicity of cucumber cultivated in sunlight greenhouse matrix by using oil shale semicoke 甘肃农业大学 2021-11-23 CN claimed
JP-56142273-A None JP disclosed
CN-115380909-A Synergistic fungicidal mixtures for controlling fungi in cereals 阿达玛马克西姆股份有限公司 2022-11-25 CN disclosed
CN-114931141-A Synergistic fungicidal mixtures for controlling fungi in cereals 阿达玛马克西姆股份有限公司 2022-08-23 CN disclosed
CN-114794123-A Synergistic fungicidal mixtures for controlling fungi in cereals 阿达玛马克西姆股份有限公司 2022-07-29 CN disclosed
EP-1257542-B1 METHOD FOR PRODUCING 2-(1,2,4-TRIAZOL-1-YL)-ETHANOLS BAYER CROPSCIENCE AG (DE) 2004-12-01 EP disclosed
US-6720428-B2 REACTING A HYDRAZINE DERIVATIVE WITH N-DIHALOGENOMETHYL-FORMAMIDINIUM HALIDE TO FORM 2-(1,2,4-TRIAZOL-1-YL)-ETHANOLS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-13 US disclosed
US-20030018201-A1 Method for producing 2-(1,2,4-Triazol-1-yl)-ethanols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-01-23 US disclosed
EP-1257542-A1 METHOD FOR PRODUCING 2-(1,2,4-TRIAZOL-1-YL)-ETHANOLS Bayer Aktiengesellschaft (DE) 2002-11-20 EP disclosed
WO-2001058884-A1 METHOD FOR PRODUCING 2-(1,2,4-TRIAZOL-1-YL)-ETHANOLS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-16 WO disclosed
US-4623654-A PLANTS, SEEDS OR SOILS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-11-18 US disclosed
US-4595406-A Plant growth regulation using triazole ethanols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-06-17 US disclosed
EP-0055997-B1 OXIRANE AND HALOHYDRIN COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-02-26 EP disclosed
US-4551469-A PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-05 US disclosed
EP-0131684-A2 Use of triazolylethanol derivatives and their compositions as non-agricultural fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-23 EP disclosed
EP-0123160-A2 Triazole compounds, a process for preparing them, their use as plant fungicides and plant growth regulators and compositions containing them ZENECA LIMITED (GB) 1984-10-31 EP disclosed
EP-0055997-A2 Oxirane and halohydrin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-07-14 EP disclosed
EP-0047594-A2 Triazole compounds, a process for preparing them, their use as plant fungicides and plant growth regulators and compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-17 EP disclosed
JP-S56142273-A 1,1-DIPHENYL-2-(1,2,4-TRIAZOLE-1-YL)-ETHANE- 1-OL, ITS MANUFACTURE AND MEDICINE CONTAINING IT BASF AG 1981-11-06 JP disclosed
EP-0015756-A1 Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-09-17 EP 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 (1 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-20030018201-A1 Method for producing 2-(1,2,4-Triazol-1-yl)-ethanols ADH1C, ADH1A, ADH5 HSP90AA1 1859/4885KMT2A 1604/4885CYP19A1 2779/4885

“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.