SCHEMBL2774480

SCHEMBL2774480

O=C(CBr)c1ccc(Oc2ccc(Cl)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
GSK3B P49841 1/20 0.47
ERCC5 P28715 2/20 0.43
FEN1 P39748 2/20 0.43
MMP1 P03956 2/20 0.42
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PNLIP P16233 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
SCHEMBL29880235 1.00 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1AGSK3BERCC5
Bromide SCHEMBL28305879 0.98 ALDH1A1 (0.46) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL17698124 0.93 MAOA (0.45) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL10362603 0.89 GSK3B (0.43) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL20027329 0.88 GSK3B (0.45) ALDH1A1MAPK1HIF1AGSK3BRAB9A
SCHEMBL20006624 0.86 ALDH1A1 (0.67) ALDH1A1MAPK1HIF1AGSK3BERCC5
SCHEMBL15756626 0.85 GSK3B (0.49) ALDH1A1GSK3BMMP1MAPTRAB9A
SCHEMBL14637734 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL29879405 0.82 ABCG2 (0.49) GSK3BMAPTRAB9ASMN1; SMN2
SCHEMBL15756498 0.82 ABCG2 (0.49) GSK3BMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101899040-B Preparation process of difenoconazole BAODONG ZHOU 2012-07-11 CN claimed
CN-115088722-B Application, method and composition of diphenyl ether compound containing triazole structure in preventing and controlling plant diseases 海利尔药业集团股份有限公司 2024-06-21 CN disclosed
CN-118108587-A Method for preparing phenylate ketone bromide 江苏扬农化工股份有限公司 2024-05-31 CN disclosed
US-11639338-B1 Compound producing method, and compound KUREHA CORPORATION (JP) 2023-05-02 US disclosed
US-11639338-B1 Compound producing method, and compound KUREHA CORPORATION (JP) 2023-05-02 US disclosed
CN-115103839-B Process for producing compound and compound 株式会社吴羽 2023-04-04 CN disclosed
CN-115088722-A Application, method and composition of diphenyl ether compound containing triazole structure in prevention or control of plant diseases 海利尔药业集团股份有限公司 2022-09-23 CN disclosed
CN-115103839-A Process for producing compound and compound 株式会社吴羽 2022-09-23 CN disclosed
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
CN-110229052-A A kind of continuous bromination reaction production method of difenoconazole intermediate phenylene ether ketone bromide 山东潍坊双星农药有限公司 2019-09-13 CN disclosed
US-20140141974-A1 Fungicidal phenylalkyl-substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds BASF SE (DE) 2014-05-22 US disclosed
US-20140128255-A1 Fungicidal Alkyl-Substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds BASF SE (DE) 2014-05-08 US disclosed
US-20140128255-A1 Fungicidal Alkyl-Substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds BASF SE (DE) 2014-05-08 US disclosed
WO-2013024083-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-2-ALKYNYL/ALKENYL-ETHYL}-1H-[1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2013-02-21 WO disclosed
WO-2013024081-A1 FUNGICIDAL SUBSTITUTED 1-{2-[2-HALO-4-(4-HALOGEN-PHENOXY)-PHENYL]-2-ALKOXY-HEXYL}-1H [1,2,4]TRIAZOLE COMPOUNDS BASF SE (DE) 2013-02-21 WO disclosed
WO-2013010894-A1 FUNGICIDAL PHENYLALKYL-SUBSTITUTED 2-[2-CHLORO-4-(4-CHLORO-PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2013-01-24 WO disclosed
WO-2013010862-A1 FUNGICIDAL ALKYL-SUBSTITUTED 2-[2-CHLORO-4-(4-CHLORO-PHENOXY)-PHENYL]-1-[1,2,4]TRIAZOL-1-YL-ETHANOL COMPOUNDS BASF SE (DE) 2013-01-24 WO disclosed
US-20110059970-A1 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2011-03-10 US disclosed
EP-2201007-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2010-06-30 EP disclosed
WO-2009071753-A1 CANNABINOID RECEPTOR LIGANDS IPSEN PHARMA S.A.S. (FR) 2009-06-11 WO 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 (5 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-20140128255-A1 Fungicidal Alkyl-Substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol Compounds CYP2E1, CYP1A1, TH ALDH1A1 107/4885MAPK1 193/4885HIF1A 1775/4885
US-20110059970-A1 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R ALDH1A1 1430/4885MAPK1 992/4885HIF1A 965/4885
US-20140141974-A1 Fungicidal phenylalkyl-substituted 2-[2-chloro-4-(4-chloro-phenoxy)-phenyl]-1-[1,2,4]triazol-1-yl-ethanol compounds TH, CYP2E1, CYP1A1 ALDH1A1 121/4885MAPK1 210/4885HIF1A 1833/4885
US-11639338-B1 Compound producing method, and compound CA7, CYP3A7, GANC ALDH1A1 1175/4885MAPK1 2444/4885HIF1A 2585/4885
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES PIP5K1B, PIP5K1A, PIP5K1C ALDH1A1 3131/4885MAPK1 626/4885HIF1A 3711/4885

“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.