SCHEMBL9319095

SCHEMBL9319095

Cc1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
KIF11 P52732 5/20 0.51
KDM1A O60341 1/20 0.45
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
MAPT P10636 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 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
SCHEMBL14235283 0.96 APP (0.55) APPAKR1C3AKR1C2KIF11KDM1A
SCHEMBL13967517 0.86 PTGS2 (0.46) APPAKR1C3AKR1C2KDM1AMAPT
SCHEMBL16906612 0.85 APP (0.46) APPAKR1C3AKR1C2KIF11KDM1A
SCHEMBL10018702 0.84 PTGS2 (0.48) APPAKR1C3AKR1C2KDM1AMAPT
SCHEMBL16841027 0.84 APP (0.50) APPAKR1C3AKR1C2KIF11KDM1A
SCHEMBL10013948 0.82 PTGS2 (0.47) APPAKR1C3AKR1C2KDM1AMAPT
SCHEMBL26375428 0.81 AKR1C3 (0.50) APPAKR1C3AKR1C2KIF11KDM1A
SCHEMBL19651373 0.81 APP (0.48) APPAKR1C3AKR1C2KIF11KDM1A
SCHEMBL16900276 0.81 APP (0.57) APPAKR1C3AKR1C2KIF11ALOX5AP
SCHEMBL257801 0.80 ACHE (0.50) APPPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334801-B1 MATERIAL COMBINATION MERCK PATENT GMBH (DE) 2020-05-27 EP disclosed
EP-2870218-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2018-05-02 EP disclosed
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-30 US disclosed
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-9758727-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-09-12 US disclosed
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
US-9644144-B2 Bimesogenic compounds and mesogenic media MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
US-20170002268-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
EP-2928985-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-12-21 EP disclosed
EP-2890762-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-10-12 EP disclosed
WO-2016107664-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-07-07 WO disclosed
WO-2016074762-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-05-19 WO disclosed
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-07-23 US disclosed
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-5292454-A Trifluorotoluene compounds, and a liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-03-08 US disclosed
EP-0427829-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GmbH (DE) 1991-05-22 EP disclosed
WO-1990014404-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-29 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 (8 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-20150210921-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 APP 862/4885AKR1C3 4107/4885AKR1C2 4374/4885
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media SP1, FOXM1, S100A11 APP 862/4885AKR1C3 4107/4885AKR1C2 4374/4885
US-20150203756-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 APP 862/4885AKR1C3 4107/4885AKR1C2 4374/4885
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 APP 862/4885AKR1C3 4107/4885AKR1C2 4374/4885
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 APP 862/4885AKR1C3 4107/4885AKR1C2 4374/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 APP 2230/4885AKR1C3 3826/4885AKR1C2 4038/4885
US-20150315470-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 APP 862/4885AKR1C3 4107/4885AKR1C2 4374/4885
US-20150203755-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 APP 862/4885AKR1C3 4107/4885AKR1C2 4374/4885

“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.