SCHEMBL646362

SCHEMBL646362

OC(c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.49
TOP2B Q02880 1/20 0.49
PDE2A O00408 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
EPHX2 P34913 1/20 0.47
ELANE P08246 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 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
SCHEMBL4603119 0.92 TOP2A (0.51) TOP2ATOP2BPDE2AALDH1A1MAPT
SCHEMBL17338803 0.89 CYP17A1 (0.49) TOP2ATOP2BPDE2AALDH1A1MAPT
SCHEMBL16771224 0.86 PDE2A (0.49) TOP2ATOP2BPDE2AALDH1A1MAPT
SCHEMBL28005087 0.83 CA1 (0.54) TOP2ATOP2BALDH1A1
SCHEMBL8848833 0.83 PDE2A (0.46) TOP2ATOP2BPDE2AALDH1A1MAPT
SCHEMBL1046494 0.83 PDE2A (0.54) TOP2ATOP2BPDE2AALDH1A1MAPT
SCHEMBL18291828 0.83 PDE2A (0.54) TOP2ATOP2BPDE2AALDH1A1MAPT
SCHEMBL1759620 0.83 PDE2A (0.46) TOP2ATOP2BPDE2AALDH1A1MAPT
SCHEMBL29376300 0.82 ABL1 (0.43) TOP2ATOP2BCYP3A4
SCHEMBL23388219 0.80 CHEK2 (0.43) TOP2ATOP2BPDE2AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114094023-B Organic electroluminescent element containing compound based on tribenzotriindene 上海八亿时空先进材料有限公司 2024-05-10 CN disclosed
CN-114094023-A Organic electroluminescent element containing triphenyltriindene-based compound 上海八亿时空先进材料有限公司 2022-02-25 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 WO disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 US disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 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 (4 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C TOP2A 474/4885TOP2B 913/4885PDE2A 136/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 TOP2A 1908/4885TOP2B 1787/4885PDE2A 1860/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 TOP2A 694/4885TOP2B 1539/4885PDE2A 158/4885
US-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 TOP2A 413/4885TOP2B 141/4885PDE2A 175/4885

“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.