SCHEMBL9285248

SCHEMBL9285248

CCCCCC(O)Cn1cncn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.46
KDR P35968 1/20 0.46
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
GPR84 Q9NQS5 3/20 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
SCHEMBL9487099 0.98 ADA (0.48) ADAKDRPOLBHPGDGPR84
SCHEMBL10451419 0.95 POLB (0.42) ADAKDRPOLBHPGD
SCHEMBL10771116 0.90 POLB (0.44) ADAPOLBHPGD
SCHEMBL9584228 0.81 LMNA (0.38) ADA
SCHEMBL12900040 0.80 POLB (0.46) POLBHPGD
SCHEMBL2021737 0.80 POLB (0.46) POLBHPGD
SCHEMBL13108577 0.80 POLB (0.46) POLBHPGD
SCHEMBL11202581 0.80 EGLN3 (0.42)
SCHEMBL4249454 0.80 POLB (0.50) POLBHPGD
SCHEMBL11202609 0.79 EGLN3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7188185-A None JP disclosed
CN-105164111-B Substituted [1,2,4] triazoles and their use as fungicides 巴斯夫欧洲公司 2018-11-20 CN disclosed
US-10071971-B2 Substituted [1,2,4]triazole compounds and their use as fungicides BASF SE (DE) 2018-09-11 US disclosed
EP-2935236-B1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2017-11-29 EP disclosed
EP-3181558-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2017-06-21 EP disclosed
EP-3173406-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2017-05-31 EP disclosed
US-20150336905-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2015-11-26 US disclosed
US-20150329501-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2015-11-19 US disclosed
EP-2935237-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2015-10-28 EP disclosed
EP-2935236-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2015-10-28 EP disclosed
WO-2014095548-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-26 WO disclosed
WO-2014095672-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES BASF SE (DE) 2014-06-26 WO disclosed
JP-H07188185-A 1-ARYL-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANOL DERIVATIVE MORISHITA ROUSSEL KK 1995-07-25 JP disclosed
US-5312815-A Fungicidal (+)-2-(2,4-difluorophenyl)-3-methyl-1-(1H-1,2,4-triazol-1-yl)3-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-ylthio) butan-2-ol ROUSSEL MORISHITA CO., LTD. (JP) 1994-05-17 US disclosed
EP-0552974-A1 A 1-aryl-2-(1H-1,2-4-triazol-1-yl) ethanol derivative and antifungal compositions containing that derivative ROUSSEL MORISHITA Co., Ltd. (JP) 1993-07-28 EP disclosed
EP-0552974-A1 A 1-aryl-2-(1H-1,2-4-triazol-1-yl) ethanol derivative and antifungal compositions containing that derivative ROUSSEL MORISHITA Co., Ltd. (JP) 1993-07-28 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 (3 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-20150336905-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES CYP51A1, CYP4B1, CYP1B1 ADA 1767/4885KDR 4234/4885POLB 4653/4885
US-10071971-B2 Substituted [1,2,4]triazole compounds and their use as fungicides CYP51A1, CYP4B1, CYP1B1 ADA 1767/4885KDR 4234/4885POLB 4653/4885
US-20150329501-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES CYP51A1, CYP4B1, CYP1B1 ADA 1799/4885KDR 4107/4885POLB 4551/4885

“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.