SCHEMBL5402962

SCHEMBL5402962

Oc1ccc(C(F)(F)C(F)(F)c2ccc(O)c(F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.41
HSD17B2 P37059 5/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 3/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE2A O00408 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SHBG P04278 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL2839880 0.86 PDE2A (0.50) HSD17B1HSD17B2KDM4ENQO2PDE2A
SCHEMBL23174675 0.84 HSD17B1 (0.35) HSD17B1HSD17B2ESR1ESR2HSD17B10
SCHEMBL17696924 0.84 TSHR (0.43) HSD17B1HSD17B2ESR1ESR2HSD17B10
SCHEMBL27495808 0.84 PDE2A (0.48) HSD17B1HSD17B2KDM4ENQO2PDE2A
SCHEMBL3681247 0.82 ESR1 (0.52) HSD17B1HSD17B2ESR1ESR2HSD17B10
SCHEMBL29404893 0.82 ESR1 (0.52) HSD17B1HSD17B2ESR1ESR2HSD17B10
SCHEMBL4470436 0.79 ESR1 (0.52) HSD17B1HSD17B2ESR1ESR2HSD17B10
SCHEMBL544510 0.79 ESR1 (0.61) HSD17B1HSD17B2ESR1ESR2HSD17B10
SCHEMBL29372911 0.79 ESR1 (0.61) HSD17B1HSD17B2ESR1ESR2HSD17B10
SCHEMBL30249992 0.79 ALDH1A1 (0.64) HSD17B1HSD17B2ESR1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1262471-A2 Fluorine-containing bisphenols, their preparation, intermediates towards their preparation, and their use BAYER AG (DE) 2002-12-04 EP claimed
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 HSD17B1 501/4885HSD17B2 249/4885ESR1 1252/4885
US-20060266985-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 HSD17B1 194/4885HSD17B2 108/4885ESR1 21/4885
US-20070270618-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 HSD17B1 194/4885HSD17B2 108/4885ESR1 21/4885
US-20030009060-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP2F1, HNF4A, FLI1 HSD17B1 148/4885HSD17B2 178/4885ESR1 45/4885

“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.