SCHEMBL5397667

SCHEMBL5397667

Oc1ccc(C(F)(F)C(F)(F)c2ccc(O)c(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
HSD17B1 P14061 3/20 0.43
HSD17B2 P37059 3/20 0.43
NQO2 P16083 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KIF11 P52732 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.36
ESR1 P03372 2/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35

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
SCHEMBL863774 0.88 CES2 (0.55) CES2HSD17B1HSD17B2NQO2MEN1
SCHEMBL1599382 0.83 ALDH1A1 (0.59) CES2HSD17B1HSD17B2NQO2MEN1
SCHEMBL3685920 0.83 ESR1 (0.57) CES2HSD17B1HSD17B2NQO2MEN1
SCHEMBL896283 0.77 HSD17B1 (0.43) HSD17B1HSD17B2NQO2MEN1KMT2A
SCHEMBL25933574 0.77 ESR1 (0.64) CES2HSD17B1HSD17B2NQO2MEN1
SCHEMBL30708496 0.77 ESR1 (0.43) CES2HSD17B1HSD17B2ARALDH1A1
SCHEMBL16648820 0.77 ESR1 (0.43) CES2HSD17B1HSD17B2ARALDH1A1
SCHEMBL12574818 0.77 ESR1 (0.71) ARALDH1A1ALOX15HSD17B10HPGD
SCHEMBL30595362 0.76 ALDH1A1 (0.60) HSD17B1HSD17B2ARALDH1A1ALOX15
SCHEMBL1938893 0.76 HSD17B1 (0.65) HSD17B1HSD17B2ARKIF11ESR1

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 CES2 33/4885HSD17B1 501/4885HSD17B2 249/4885
US-20060266985-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 CES2 185/4885HSD17B1 194/4885HSD17B2 108/4885
US-20070270618-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 CES2 185/4885HSD17B1 194/4885HSD17B2 108/4885
US-20030009060-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP2F1, HNF4A, FLI1 CES2 289/4885HSD17B1 148/4885HSD17B2 178/4885

“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.