SCHEMBL5388697

SCHEMBL5388697

Fc1ccc(C(F)(F)C(F)(F)c2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.44
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.40
CYP19A1 P11511 2/20 0.39
RORC P51449 1/20 0.38
HSD11B1 P28845 1/20 0.38
PAX8 Q06710 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 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
SCHEMBL6048376 0.85 KCNN4 (0.39) KCNN4RAB9AUSP2CA1CA2
SCHEMBL168026 0.80 ALDH1A1 (0.53) KCNN4RAB9AUSP2PAX8CYP1A1
SCHEMBL7929536 0.80 KCNN4 (0.44) KCNN4RAB9AUSP2CA1CA2
SCHEMBL8560690 0.79 USP2 (0.43) KCNN4RAB9AUSP2CYP19A1RORC
SCHEMBL10578903 0.79 KCNN4 (0.35) KCNN4RAB9AUSP2CA1CA2
SCHEMBL6048383 0.79 LMNA (0.36) KCNN4RAB9AUSP2CA1CA2
SCHEMBL6556363 0.79 LMNA (0.36) KCNN4RAB9AUSP2CA1CA2
SCHEMBL25119775 0.78 KCNN4 (0.42) KCNN4RAB9AUSP2CA1CA2
SCHEMBL3158793 0.78 TSHR (0.50) KCNN4RAB9AUSP2CA1CA2
SCHEMBL11623312 0.76 CA1 (0.42) KCNN4CA1CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201031-B1 (METH)ACRYLIC ESTERS AND THEIR USE BAYER AG (DE) 1989-08-02 EP claimed
US-4665217-A DENTAL FILLERS AND COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US claimed
EP-0201031-A2 (Meth)acrylic esters and their use BAYER AG (DE) 1986-11-12 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
EP-0201031-B1 (METH)ACRYLIC ESTERS AND THEIR USE BAYER AG (DE) 1989-08-02 EP disclosed
US-4665217-A DENTAL FILLERS AND COATINGS BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 US disclosed
EP-0201031-A2 (Meth)acrylic esters and their use BAYER AG (DE) 1986-11-12 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 KCNN4 585/4885RAB9A 3844/4885USP2 813/4885
US-20060266985-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 KCNN4 929/4885RAB9A 3506/4885USP2 1315/4885
US-20070270618-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP4F2, AFF4, CYP4F3 KCNN4 929/4885RAB9A 3506/4885USP2 1315/4885
US-20030009060-A1 Fluorine-containing bisphenols, their preparation, their precursors and intermediates, and use of the fluorine-containing bisphenols CYP2F1, HNF4A, FLI1 KCNN4 845/4885RAB9A 3429/4885USP2 1627/4885

“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.