SCHEMBL2833890

SCHEMBL2833890

O=C(Oc1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.69
ALDH1A1 P00352 5/20 0.69
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
HTT P42858 1/20 0.57
MAPT P10636 5/20 0.56
POLB P06746 1/20 0.56
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ALOX12 P18054 1/20 0.52
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.47

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
SCHEMBL12259109 0.89 KMT2A (0.69) KMT2AALDH1A1ESR1ESR2HTT
SCHEMBL2831844 0.89 KMT2A (0.68) KMT2AALDH1A1ESR1ESR2HTT
SCHEMBL2831396 0.86 KMT2A (0.69) KMT2AALDH1A1ESR1ESR2HTT
SCHEMBL16604316 0.83 ALDH1A1 (0.61) KMT2AALDH1A1ESR1ESR2HTT
SCHEMBL27738170 0.82 KMT2A (0.61) KMT2AALDH1A1ESR1ESR2MAPT
SCHEMBL8198021 0.82 KMT2A (0.58) KMT2AALDH1A1ESR1ESR2MAPT
SCHEMBL4256427 0.82 ALDH1A1 (0.61) KMT2AALDH1A1ESR1ESR2MAPT
SCHEMBL8758935 0.82 ESR1 (0.64) KMT2AALDH1A1ESR1ESR2HTT
SCHEMBL5687713 0.82 KMT2A (0.60) KMT2AALDH1A1ESR1ESR2HTT
SCHEMBL2831243 0.81 CES2 (0.57) KMT2AALDH1A1MAPTALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9752075-B2 Mesogenic media and liquid crystal display MERCK PATENT GMBH (DE) 2017-09-05 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
US-20160298031-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-10-06 US disclosed
US-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150090935-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2015-04-02 US disclosed
WO-2014005672-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2014-01-09 WO disclosed
US-8263268-B2 Ester compound, and non-aqueous electrolyte solution and lithium secondary battery each using the ester compound UBE INDUSTRIES, LTD. (JP) 2012-09-11 US disclosed
EP-2108640-B1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES (JP) 2012-07-25 EP disclosed
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-05-13 US disclosed
EP-2108640-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND Ube Industries, Ltd. (JP) 2009-10-14 EP disclosed
EP-0580122-B1 4-Fluorophenylbenzoates and liquid crystal compositions containing them CITIZEN WATCH CO LTD (JP) 1997-05-28 EP disclosed
US-5364558-A Low viscosity, low threshold voltage, fluorine containing CITIZEN WATCH CO., LTD. (JP) 1994-11-15 US disclosed
EP-0580122-A1 Ester derivative Citizen Watch Co., Ltd. (JP) 1994-01-26 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 (7 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-20160229795-A1 COMPOUNDS AND MESOGENIC MEDIA MTX1, NEFM, MTX2 KMT2A 4302/4885ALDH1A1 2642/4885ESR1 4650/4885
US-20150175883-A1 Bimesogenic Compounds and Mesogenic Media SP1, FOXM1, S100A11 KMT2A 2102/4885ALDH1A1 4654/4885ESR1 2231/4885
US-20170327741-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KMT2A 2102/4885ALDH1A1 4654/4885ESR1 2231/4885
US-20100119955-A1 ESTER COMPOUND, AND NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY EACH USING THE ESTER COMPOUND CEL, LAGE3, PEF1 KMT2A 1023/4885ALDH1A1 2511/4885ESR1 119/4885
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KMT2A 2044/4885ALDH1A1 4548/4885ESR1 1598/4885
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 KMT2A 2102/4885ALDH1A1 4654/4885ESR1 2231/4885
US-20170342324-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MTX1, S100A11, MCRS1 KMT2A 3390/4885ALDH1A1 3730/4885ESR1 4337/4885

“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.