SCHEMBL403153

SCHEMBL403153

Cc1cc(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c2ccccc2c1-c1c(C)cc(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
ACACA Q13085 1/20 0.36
CXCR2 P25025 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CXCR1 P25024 1/20 0.35
CHRM1 P11229 4/20 0.35
DRD4 P21917 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34

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
SCHEMBL23303396 0.83 PTGS2 (0.42) CA1CA2CA9ALDH1A1MAPT
SCHEMBL13226612 0.80 GPR84 (0.44) ADORA2AADORA1KDM4E
SCHEMBL13933212 0.80 CA1 (0.40) CA1CA2CA9DRD2DRD3
SCHEMBL4349105 0.78 CA1 (0.46) CA1CA2CA9DRD2DRD3
SCHEMBL16926998 0.77 CA1 (0.47) CA1CA2CA9DRD2DRD3
SCHEMBL11904137 0.76 CA2 (0.41) CA1CA2CA9ADORA2AADORA1
SCHEMBL13251168 0.75 KIF11 (0.40) CA1CA2CA9HTR2CHTR7
SCHEMBL5532552 0.75 CA2 (0.62) CA1CA2CA9CXCR2ADORA2A
SCHEMBL24360466 0.75 CA2 (0.62) CA1CA2CA9CXCR2ADORA2A
SCHEMBL1924438 0.75 CA2 (0.46) CA1CA2CA9DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217674-B1 ELECTROACTIVE MATERIALS DU PONT (US) 2017-08-23 EP disclosed
EP-2352801-B1 ELECTROACTIVE MATERIALS DU PONT (US) 2017-06-21 EP disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-9159927-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-10-13 US disclosed
US-9099653-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-9099653-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8889269-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-11-18 US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 US disclosed
US-8652655-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-18 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-20120013245-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-8063399-B2 Electroactive materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 US disclosed
US-20110095269-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2011-04-28 US disclosed
US-20100187506-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-07-29 US disclosed
US-20100187506-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-07-29 US disclosed
WO-2010065497-A2 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 WO disclosed
WO-2009067419-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-28 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 (3 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-20120013245-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CA1 1978/4885CA2 1507/4885CA9 3398/4885
US-20100187506-A1 ELECTROACTIVE MATERIALS ARL1, ITGA1, ITGB1 CA1 1734/4885CA2 1451/4885CA9 3245/4885
US-20110095269-A1 ELECTROACTIVE MATERIALS NAT1, ADRA1D, ADRA1B CA1 1978/4885CA2 1507/4885CA9 3398/4885

“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.