SCHEMBL1783873

SCHEMBL1783873

COC(=O)/C=C/c1ccc(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TYR P14679 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
FDPS P14324 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
GSK3B P49841 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL1783875 1.00 PPARA (0.48) PPARACA12CA1CA2TYR
SCHEMBL20202771 0.81 MAPT (0.59) PPARACA12CA1CA2TYR
SCHEMBL896329 0.80 ALDH1A1 (0.48) PPARAKDM4EMAPT
SCHEMBL142092 0.80 ABCG2 (0.62) PPARACA12CA1CA2TYR
SCHEMBL8782823 0.80 ABCG2 (0.62) PPARACA12CA1CA2TYR
SCHEMBL13063554 0.79 CA12 (0.57) PPARACA12CA1CA2TYR
SCHEMBL9339002 0.79 CA12 (0.57) PPARACA12CA1CA2TYR
SCHEMBL14634380 0.79 CA12 (0.57) PPARACA12CA1CA2TYR
SCHEMBL9339004 0.79 CA12 (0.57) PPARACA12CA1CA2TYR
SCHEMBL26164084 0.78 PPARA (0.49) PPARACYP1A1CYP1B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846978-B2 Electronic devices comprising novel phosphonic acid surface modifiers IMPERIAL INNOVATIONS LTD. (GB) 2014-09-30 US disclosed
US-8586208-B2 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2013-11-19 US disclosed
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS NATIONAL SCIENCE FOUNDATION 2012-05-10 US disclosed
US-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices GEORGIA TECH RESEARCH CORPORATION (US) 2011-05-19 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 (2 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-20110114935-A1 Stable electrodes with modified work functions and methods for organic electronic devices EPCAM, EMD, L1CAM PPARA 4362/4885CA12 604/4885CA1 1041/4885
US-20120114974-A1 ELECTRONIC DEVICES COMPRISING NOVEL PHOSPHONIC ACID SURFACE MODIFIERS EFNA1, PHOSPHO1, EPHA6 PPARA 1486/4885CA12 1010/4885CA1 636/4885

“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.