SCHEMBL5406101

SCHEMBL5406101

FC(F)(c1ccc(OCc2ccccc2)cc1)C(F)(F)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
CYP2C19 P33261 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAOB P27338 6/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTPRC P08575 1/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPRB P23467 1/20 0.56

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
SCHEMBL669799 0.90 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL255002 0.89 MAOB (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15372302 0.85 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7663449 0.84 GSTP1 (0.48) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15706222 0.84 LMNA (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.83 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8729093 0.83 GSTP1 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8726167 0.83 GSTP1 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3977512 0.82 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL20326486 0.82 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270618-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols MARHOLD ALBRECHT 2007-11-22 US disclosed
US-7268260-B2 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols LANXESS DEUTSCHLAND GMBH (DE) 2007-09-11 US disclosed
US-20060266985-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols MARHOLD ALBRECHT 2006-11-30 US disclosed
US-7112704-B2 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols BAYER AKTIENGESELLSCHAFT (DE) 2006-09-26 US disclosed
US-20050230669-A1 coupling 4-halobenzotrichlorides in the presence of copper and tertiary amine solvents, to form chemical intermediates for liquid crystals, flameproofing, polyesters, polyethers or polycarbonates LANXESS DEUTSCHLAND GMBH (DE) 2005-10-20 US disclosed
US-6936739-B2 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols BAYER AKTIENGESELLSCHAFT (DE) 2005-08-30 US disclosed
US-20030009060-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols LANXESS DEUTSCHLAND GMBH (DE) 2003-01-09 US disclosed
EP-1262471-A2 Fluorine-containing bisphenols, their preparation, intermediates towards their preparation, and their use BAYER AG (DE) 2002-12-04 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 (4 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-20050230669-A1 coupling 4-halobenzotrichlorides in the presence of copper and tertiary amine solvents, to form chemical intermediates for liquid crystals, flameproofing, polyesters, polyethers or polycarbonates CYP4F2, CYP4F12, CYP4F3 LMNA 1290/4885CYP1A2 53/4885PTGS1 2362/4885
US-20060266985-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 LMNA 911/4885CYP1A2 49/4885PTGS1 2639/4885
US-20070270618-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 LMNA 911/4885CYP1A2 49/4885PTGS1 2639/4885
US-20030009060-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP2F1, HNF4A, FLI1 LMNA 979/4885CYP1A2 107/4885PTGS1 1765/4885

“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.