SCHEMBL2156965

SCHEMBL2156965

O=C(C(=O)c1cc(F)cc(F)c1)c1cc(F)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 12/20 1.00
CES1 P23141 11/20 1.00
HCAR1 Q9BXC0 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
SLC6A3 Q01959 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
PARP1 P09874 1/20 0.41
TTR P02766 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL4848895 0.87 CES2 (0.81) CES2CES1HCAR1CA12CA1
SCHEMBL4414671 0.86 CES2 (0.75) CES2CES1HCAR1CA12CA1
SCHEMBL7260110 0.85 CES2 (0.73) CES2CES1PARP1
SCHEMBL15956471 0.85 CES2 (0.73) CES2CES1HCAR1SLC6A3
SCHEMBL13246756 0.84 CES2 (0.71) CES2CES1HCAR1CA12CA1
SCHEMBL4470662 0.81 CES2 (0.68) CES2CES1HCAR1CA12CA1
SCHEMBL7075313 0.79 CES2 (0.65) CES2CES1HCAR1CA12CA1
SCHEMBL157714 0.79 HCAR1 (0.73) CES2CES1HCAR1CA12CA1
SCHEMBL9693658 0.79 CES2 (0.65) CES2CES1HCAR1CA12CA1
SCHEMBL4848918 0.78 CES2 (0.73) CES2CES1

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-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 US claimed
US-8637167-B2 Light emitting element and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-01-28 US disclosed
US-8637167-B2 Light emitting element and light emitting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-01-28 US disclosed
EP-1328524-B1 NOVEL ANTICHOLINERGICS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2012-12-12 EP disclosed
US-8227600-B2 Organometallic complex, and light-emitting element and light-emitting device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-24 US disclosed
US-8227600-B2 Organometallic complex, and light-emitting element and light-emitting device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-07-24 US disclosed
EP-1749424-B1 LIGHT EMITTING ELEMENT AND LIGHT EMITTING DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2011-10-19 EP disclosed
US-20110196152-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING ELEMENT AND LIGHT-EMITTING DEVICE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-11 US disclosed
US-20110196152-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING ELEMENT AND LIGHT-EMITTING DEVICE USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-08-11 US disclosed
US-7973034-B2 Ameliorating toxic effects of such as cancer therapy drugs or addictive drug overdose ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2011-07-05 US disclosed
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-06-19 US disclosed
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-06-19 US disclosed
US-20080113216-A1 Organometallic Complex, And Light-Emitting Element And Light-Emitting Device Using The Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-05-15 US disclosed
US-20080113216-A1 Organometallic Complex, And Light-Emitting Element And Light-Emitting Device Using The Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2008-05-15 US disclosed
US-20070241667-A1 Light Emitting Element and Light Emitting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-10-18 US disclosed
US-20070241667-A1 Light Emitting Element and Light Emitting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-10-18 US disclosed
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-20050054691-A1 Carboxylesterase inhibitors ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2005-03-10 US disclosed
US-6852728-B2 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-08 US disclosed
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-29 US 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-20050054691-A1 Carboxylesterase inhibitors CES1, CES2, BCHE CES2 2/4885CES1 1/4885HCAR1 2157/4885
US-20080146548-A1 AMIDE, ARYL SULFONAMIDE, ARYL UREA, AND a,b-DIKETONE DERIVED CARBOXYLESTERASE INHIBITORS, AND THEIR METHODS OF USE CES1, BCHE, CES2 CES2 3/4885CES1 1/4885HCAR1 2260/4885
US-20020119991-A1 Anticholinergics, processes for preparing them, and pharmaceutical compositions containing them CHRM1, CHRM3, CHRM2 CES2 337/4885CES1 383/4885HCAR1 413/4885
US-20050054664-A1 Anticholinergics, processes for preparing them and pharmaceutical composition containing them CHRM1, CHRM3, CHRM2 CES2 470/4885CES1 568/4885HCAR1 351/4885
US-20110196152-A1 ORGANOMETALLIC COMPLEX, AND LIGHT-EMITTING ELEMENT AND LIGHT-EMITTING DEVICE USING THE SAME C5, CRY1, ORC3 CES2 2482/4885CES1 1770/4885HCAR1 1581/4885
US-20070241667-A1 Light Emitting Element and Light Emitting Device LAGE3, MT-ND5, NDUFS5 CES2 2517/4885CES1 3676/4885HCAR1 4858/4885
US-20080113216-A1 Organometallic Complex, And Light-Emitting Element And Light-Emitting Device Using The Same C5, CRY1, ORC3 CES2 2482/4885CES1 1770/4885HCAR1 1581/4885

“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.