SCHEMBL10041658

SCHEMBL10041658

O=Cc1ccccc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
PTPN1 P18031 1/20 0.46
ERN1 O75460 3/20 0.44
S100A4 P26447 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.40
PTPN11 Q06124 1/20 0.39
EIF4E P06730 1/20 0.38
TP53 P04637 2/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
CHRM1 P11229 1/20 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
SCHEMBL6930919 0.89 TDP1 (0.55) TDP1ALDH1A1MAPTPTPN1ERN1
SCHEMBL10041704 0.85 TDP1 (0.57) TDP1ALDH1A1MAPTPTPN1ERN1
SCHEMBL10041665 0.85 TDP1 (0.57) TDP1ALDH1A1MAPTPTPN1ERN1
SCHEMBL6003472 0.85 ERN1 (0.52) TDP1ALDH1A1MAPTPTPN1ERN1
SCHEMBL27547924 0.84 ERN1 (0.47) TDP1ERN1S100A4MEN1LMNA
SCHEMBL31488266 0.82 ERN1 (0.59) TDP1ALDH1A1MAPTERN1S100A4
SCHEMBL2471502 0.82 ALDH1A1 (0.47) TDP1ALDH1A1ERN1S100A4MEN1
SCHEMBL13350048 0.82 ERN1 (0.59) TDP1ALDH1A1MAPTERN1S100A4
SCHEMBL546960 0.82 TDP1 (0.44) TDP1ALDH1A1ERN1S100A4MEN1
SCHEMBL1547476 0.82 TDP1 (0.52) TDP1ALDH1A1ERN1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-05-19 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-10138260-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2018-11-27 US disclosed
EP-3271368-B1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2018-10-31 EP disclosed
CN-108495857-A New phospha cyclohexane class compound and azepine phospha cyclohexane class compound, their preparation method and the Pharmaceutical composition comprising them 法国施维雅药厂 2018-09-04 CN disclosed
US-9972784-B2 Compounds and organic electronic device using same LG CHEM, LTD. (KR) 2018-05-15 US disclosed
US-9972784-B2 Compounds and organic electronic device using same LG CHEM, LTD. (KR) 2018-05-15 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-20140110694-A1 NOVEL COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-04-24 US disclosed
US-20140110694-A1 NOVEL COMPOUNDS AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2014-04-24 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 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 (6 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-10654878-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 TDP1 544/4885ALDH1A1 1469/4885MAPT 4054/4885
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 TDP1 1851/4885ALDH1A1 2949/4885MAPT 2655/4885
US-10138260-B2 Compounds of phosphinanes and azaphosphinanes, a process for their preparation and pharmaceutical compositions containing them TK1, AK1, PHKA1 TDP1 544/4885ALDH1A1 1469/4885MAPT 4054/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 TDP1 1851/4885ALDH1A1 2949/4885MAPT 2655/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 TDP1 4181/4885ALDH1A1 750/4885MAPT 1310/4885
US-20190031693-A1 COMPOUNDS OF PHOSPHINANES AND AZAPHOSPHINANES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AK1, TK1, PHKA1 TDP1 558/4885ALDH1A1 1477/4885MAPT 4153/4885

“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.