SCHEMBL8542

SCHEMBL8542

OCCCCc1ncc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.61
TERT O14746 1/20 0.52
ALOX15 P16050 1/20 0.42
TAAR1 Q96RJ0 9/20 0.41
FDPS P14324 1/20 0.41
HTR1A P08908 1/20 0.36
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL4684337 0.98 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL5611002 0.98 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL27191622 0.98 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL1092797 0.98 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL3468872 0.98 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
Hydrochloric Acid SCHEMBL10816272 0.98 TBXAS1 (0.62) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28517717 0.98 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28619801 0.98 TBXAS1 (0.64) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9315 0.94
SCHEMBL3431746 0.89 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109735230-B Amphoteric polymer-based marine antifouling surface and preparation method thereof 西北工业大学深圳研究院 2020-12-11 CN claimed
EP-0029542-B1 HYDROXYBUTYL-IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES NECESSARY FOR THE LATTER AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1984-07-18 EP claimed
EP-0031883-B1 ANTIMICROBIAL AGENT CONTAINING HYDROXY BUTYLIMIDAZOLE DERIVATIVES BAYER AG (DE) 1983-03-02 EP claimed
CN-109735230-B Amphoteric polymer-based marine antifouling surface and preparation method thereof 西北工业大学深圳研究院 2020-12-11 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
CN-104297399-B By-product 4-methylimidazole and the detection method of 2-acetyl group-4-hydroxy-butyl imidazoles in caramel color 江苏省疾病预防控制中心 2016-11-23 CN 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-1403709-A2 Photoinitiator Shipley Co. L.L.C. (US) 2004-03-31 EP disclosed
WO-2003049746-A2 COMBINATION OF CYTOCHOME P450 DEPENDENT PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2003-06-19 WO disclosed
WO-2002047679-A2 NONPEPTIDE AGONISTS AND ANTAGONISTS OF VASOPRESSIN RECEPTORS EMORY UNIVERSITY (US) 2002-06-20 WO disclosed
EP-0823900-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996033980-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-10-31 WO disclosed
EP-0473626-A1 NEW DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR PRODUCING THEM AND DRUGS CONTAINING THEM. BOEHRINGER MANNHEIM GMBH (DE) 1992-03-11 EP disclosed
EP-0031883-A1 Antimicrobial agent containing hydroxy butylimidazole derivatives BAYER AG (DE) 1981-07-15 EP disclosed
EP-0029542-A2 Hydroxybutyl-imidazole derivatives, process for their preparation, intermediates necessary for the latter and their use as fungicides BAYER AG (DE) 1981-06-03 EP disclosed
EP-0029542-A2 Hydroxybutyl-imidazole derivatives, process for their preparation, intermediates necessary for the latter and their use as fungicides BAYER AG (DE) 1981-06-03 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 TBXAS1 1618/4885TERT 661/4885ALOX15 3113/4885
US-10071971-B2 Substituted [1,2,4]triazole compounds and their use as fungicides CYP51A1, CYP4B1, CYP1B1 TBXAS1 1618/4885TERT 661/4885ALOX15 3113/4885
US-20150329501-A1 SUBSTITUTED [1,2,4]TRIAZOLE COMPOUNDS AND THEIR USE AS FUNGICIDES CYP51A1, CYP4B1, CYP1B1 TBXAS1 1675/4885TERT 749/4885ALOX15 3277/4885

“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.